 Entering Gaussian System, Link 0=g16
 Input=11_L-cysteine_conformer06_STD_B3LYPDBJ_augccpVDZ.in
 Output=11_L-cysteine_conformer06_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-79667.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     79699.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=11_L-cysteine_conformer06_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:35:17 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "11_L-cysteine_conformer06_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.824986000000     -0.666603000000      0.347306000000
  S                                                 2.495075000000     -0.054602000000     -0.089557000000
  C                                                -0.221037000000      0.216722000000     -0.323933000000
  N                                                -0.188511000000      1.631984000000      0.059661000000
  C                                                -1.629570000000     -0.363004000000     -0.074223000000
  O                                                -1.864770000000     -1.539961000000     -0.094885000000
  O                                                -2.562752000000      0.569109000000      0.133443000000
  H                                                -0.078218000000      0.164081000000     -1.407000000000
  H                                                 0.693275000000     -0.641977000000      1.430481000000
  H                                                 0.698595000000     -1.689914000000      0.005954000000
  H                                                -2.079379000000      1.426945000000      0.123163000000
  H                                                 0.398384000000      2.178893000000     -0.555449000000
  H                                                 0.162984000000      1.752083000000      1.003071000000
  H                                                 3.176630000000     -1.096242000000      0.411704000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          32          12          14          12          16          16           1           1           1
 AtmWgt=  12.0000000  31.9720718  12.0000000  14.0030740  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           2           0           0           0           1           1           1
 AtZEff=   3.6000000  13.6000000   3.6000000   4.5500000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000  16.0000000   6.0000000   7.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 19:35:17 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.824986   -0.666603    0.347306
      2         16           0        2.495075   -0.054602   -0.089557
      3          6           0       -0.221037    0.216722   -0.323933
      4          7           0       -0.188511    1.631984    0.059661
      5          6           0       -1.629570   -0.363004   -0.074223
      6          8           0       -1.864770   -1.539961   -0.094885
      7          8           0       -2.562752    0.569109    0.133443
      8          1           0       -0.078218    0.164081   -1.407000
      9          1           0        0.693275   -0.641977    1.430481
     10          1           0        0.698595   -1.689914    0.005954
     11          1           0       -2.079379    1.426945    0.123163
     12          1           0        0.398384    2.178893   -0.555449
     13          1           0        0.162984    1.752083    1.003071
     14          1           0        3.176630   -1.096242    0.411704
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  S    1.831554   0.000000
     3  C    1.524791   2.739674   0.000000
     4  N    2.528521   3.173086   1.466686   0.000000
     5  C    2.508925   4.136187   1.543503   2.464661   0.000000
     6  O    2.862355   4.605928   2.416662   3.590956   1.200406
     7  O    3.612408   5.101015   2.411845   2.602339   1.335211
     8  H    2.140888   2.899192   1.093710   2.077979   2.112062
     9  H    1.091431   2.429405   2.156687   2.797784   2.781649
    10  H    1.086122   2.431195   2.142384   3.438728   2.680946
    11  H    3.587272   4.813093   2.262293   1.903012   1.856127
    12  H    3.015593   3.098656   2.070603   1.010898   3.287159
    13  H    2.591972   3.145885   2.065368   1.013901   2.974459
    14  H    2.391436   1.341937   3.716070   4.346415   4.886033
                    6          7          8          9         10
     6  O    0.000000
     7  O    2.233269   0.000000
     8  H    2.795921   2.951258   0.000000
     9  H    3.110741   3.708200   3.048972   0.000000
    10  H    2.569727   3.969360   2.457066   1.768468   0.000000
    11  H    2.982639   0.984702   2.817955   3.698260   4.176804
    12  H    4.377655   3.440102   2.238695   3.462396   3.920838
    13  H    4.019309   3.096016   2.896268   2.489058   3.623322
    14  H    5.086181   5.982585   3.935751   2.722373   2.580259
                   11         12         13         14
    11  H    0.000000
    12  H    2.676798   0.000000
    13  H    2.430668   1.632962   0.000000
    14  H    5.837410   4.402334   4.188643   0.000000
 Stoichiometry    C3H7NO2S
 Framework group  C1[X(C3H7NO2S)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.85D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.824986   -0.666603    0.347306
      2         16           0        2.495075   -0.054602   -0.089557
      3          6           0       -0.221037    0.216722   -0.323933
      4          7           0       -0.188511    1.631984    0.059661
      5          6           0       -1.629570   -0.363004   -0.074223
      6          8           0       -1.864770   -1.539961   -0.094885
      7          8           0       -2.562752    0.569109    0.133443
      8          1           0       -0.078218    0.164081   -1.407000
      9          1           0        0.693275   -0.641977    1.430481
     10          1           0        0.698595   -1.689914    0.005954
     11          1           0       -2.079379    1.426945    0.123163
     12          1           0        0.398384    2.178893   -0.555449
     13          1           0        0.162984    1.752083    1.003071
     14          1           0        3.176630   -1.096242    0.411704
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.5400208           1.1872945           0.9739895
 Leave Link  202 at Thu Aug 12 19:35:17 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      3      5
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients=  2.4763500000D-04
     Exponent=  1.6610000000D+04 Coefficients=  1.9202600000D-03
     Exponent=  3.7810000000D+03 Coefficients=  9.9619200000D-03
     Exponent=  1.0710000000D+03 Coefficients=  4.0297500000D-02
     Exponent=  3.4980000000D+02 Coefficients=  1.2860400000D-01
     Exponent=  1.2630000000D+02 Coefficients=  3.0348000000D-01
     Exponent=  4.9260000000D+01 Coefficients=  4.2143200000D-01
     Exponent=  2.0160000000D+01 Coefficients=  2.3078100000D-01
     Exponent=  5.7200000000D+00 Coefficients=  1.7897100000D-02
     Exponent=  2.1820000000D+00 Coefficients= -2.9751600000D-03
     Exponent=  4.3270000000D-01 Coefficients=  8.4952200000D-04
     Exponent=  1.5700000000D-01 Coefficients= -3.6793600000D-04
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients= -6.8703900000D-05
     Exponent=  1.6610000000D+04 Coefficients= -5.2768100000D-04
     Exponent=  3.7810000000D+03 Coefficients= -2.7967100000D-03
     Exponent=  1.0710000000D+03 Coefficients= -1.1265100000D-02
     Exponent=  3.4980000000D+02 Coefficients= -3.8883400000D-02
     Exponent=  1.2630000000D+02 Coefficients= -9.9502500000D-02
     Exponent=  4.9260000000D+01 Coefficients= -1.9974000000D-01
     Exponent=  2.0160000000D+01 Coefficients= -1.2336000000D-01
     Exponent=  5.7200000000D+00 Coefficients=  5.1319400000D-01
     Exponent=  2.1820000000D+00 Coefficients=  6.0712000000D-01
     Exponent=  4.3270000000D-01 Coefficients=  3.9675300000D-02
     Exponent=  1.5700000000D-01 Coefficients= -9.4686400000D-03
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients=  1.9907700000D-05
     Exponent=  1.6610000000D+04 Coefficients=  1.5348300000D-04
     Exponent=  3.7810000000D+03 Coefficients=  8.0950300000D-04
     Exponent=  1.0710000000D+03 Coefficients=  3.2897400000D-03
     Exponent=  3.4980000000D+02 Coefficients=  1.1296700000D-02
     Exponent=  1.2630000000D+02 Coefficients=  2.9638500000D-02
     Exponent=  4.9260000000D+01 Coefficients=  5.9985100000D-02
     Exponent=  2.0160000000D+01 Coefficients=  4.1324800000D-02
     Exponent=  5.7200000000D+00 Coefficients= -2.0747400000D-01
     Exponent=  2.1820000000D+00 Coefficients= -3.9288900000D-01
     Exponent=  4.3270000000D-01 Coefficients=  6.3284000000D-01
     Exponent=  1.5700000000D-01 Coefficients=  5.5692400000D-01
 S 1 1.00
     Exponent=  1.5700000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.0700000000D-02 Coefficients=  1.0000000000D+00
 P 8 1.00
     Exponent=  3.9970000000D+02 Coefficients=  4.4754100000D-03
     Exponent=  9.4190000000D+01 Coefficients=  3.4170800000D-02
     Exponent=  2.9750000000D+01 Coefficients=  1.4425000000D-01
     Exponent=  1.0770000000D+01 Coefficients=  3.5392800000D-01
     Exponent=  4.1190000000D+00 Coefficients=  4.5908500000D-01
     Exponent=  1.6250000000D+00 Coefficients=  2.0638300000D-01
     Exponent=  4.7260000000D-01 Coefficients=  1.0214100000D-02
     Exponent=  1.4070000000D-01 Coefficients= -6.0312200000D-05
 P 8 1.00
     Exponent=  3.9970000000D+02 Coefficients= -1.1625100000D-03
     Exponent=  9.4190000000D+01 Coefficients= -8.6566400000D-03
     Exponent=  2.9750000000D+01 Coefficients= -3.9088600000D-02
     Exponent=  1.0770000000D+01 Coefficients= -9.3462500000D-02
     Exponent=  4.1190000000D+00 Coefficients= -1.4799400000D-01
     Exponent=  1.6250000000D+00 Coefficients=  3.0190400000D-02
     Exponent=  4.7260000000D-01 Coefficients=  5.6157300000D-01
     Exponent=  1.4070000000D-01 Coefficients=  5.3477600000D-01
 P 1 1.00
     Exponent=  1.4070000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.9900000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.7900000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 282 were deleted.
 There are   242 symmetry adapted cartesian basis functions of A   symmetry.
 There are   228 symmetry adapted basis functions of A   symmetry.
   228 basis functions,   447 primitive gaussians,   242 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       375.3095290542 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0223625312 Hartrees.
 Nuclear repulsion after empirical dispersion term =      375.2871665230 Hartrees.
 Leave Link  301 at Thu Aug 12 19:35:19 2021, MaxMem=  5368709120 cpu:              11.3 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   228 RedAO= T EigKep=  1.80D-05  NBF=   228
 NBsUse=   228 1.00D-06 EigRej= -1.00D+00 NBFU=   228
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   242   242   242   242   242 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 19:35:19 2021, MaxMem=  5368709120 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:35:19 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "11_L-cysteine_conformer06_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:35:19 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368587670 LenY=  5368528665
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -722.024377561873    
 DIIS: error= 5.52D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -722.024377561873     IErMin= 1 ErrMin= 5.52D-03
 ErrMax= 5.52D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.26D-03 BMatP= 6.26D-03
 IDIUse=3 WtCom= 9.45D-01 WtEn= 5.52D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.238 Goal=   None    Shift=    0.000
 GapD=    0.238 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.60D-03 MaxDP=2.15D-01              OVMax= 2.37D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.60D-03    CP:  1.01D+00
 E= -722.029499435099     Delta-E=       -0.005121873226 Rises=F Damp=F
 DIIS: error= 5.69D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -722.029499435099     IErMin= 2 ErrMin= 5.69D-04
 ErrMax= 5.69D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.40D-04 BMatP= 6.26D-03
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.69D-03
 Coeff-Com:  0.181D-01 0.982D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.180D-01 0.982D+00
 Gap=     0.224 Goal=   None    Shift=    0.000
 RMSDP=3.96D-04 MaxDP=1.67D-02 DE=-5.12D-03 OVMax= 5.19D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.07D-04    CP:  1.01D+00  1.03D+00
 E= -722.029365475574     Delta-E=        0.000133959526 Rises=F Damp=F
 DIIS: error= 9.27D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -722.029499435099     IErMin= 2 ErrMin= 5.69D-04
 ErrMax= 9.27D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.37D-04 BMatP= 1.40D-04
 IDIUse=3 WtCom= 2.47D-01 WtEn= 7.53D-01
 Coeff-Com: -0.770D-02 0.617D+00 0.391D+00
 Coeff-En:   0.000D+00 0.666D+00 0.334D+00
 Coeff:     -0.190D-02 0.654D+00 0.348D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=1.07D-04 MaxDP=6.79D-03 DE= 1.34D-04 OVMax= 3.40D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.34D-05    CP:  1.01D+00  1.04D+00  8.07D-01
 E= -722.029614130539     Delta-E=       -0.000248654965 Rises=F Damp=F
 DIIS: error= 6.05D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -722.029614130539     IErMin= 4 ErrMin= 6.05D-05
 ErrMax= 6.05D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.92D-06 BMatP= 1.40D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.452D-02 0.236D+00 0.123D+00 0.645D+00
 Coeff:     -0.452D-02 0.236D+00 0.123D+00 0.645D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=2.28D-05 MaxDP=1.37D-03 DE=-2.49D-04 OVMax= 9.57D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.03D-05    CP:  1.01D+00  1.04D+00  8.25D-01  1.06D+00
 E= -722.029616065533     Delta-E=       -0.000001934994 Rises=F Damp=F
 DIIS: error= 5.57D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -722.029616065533     IErMin= 5 ErrMin= 5.57D-05
 ErrMax= 5.57D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.17D-06 BMatP= 3.92D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.184D-02 0.536D-01 0.183D-01 0.439D+00 0.491D+00
 Coeff:     -0.184D-02 0.536D-01 0.183D-01 0.439D+00 0.491D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=9.73D-06 MaxDP=6.70D-04 DE=-1.93D-06 OVMax= 5.78D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.68D-06    CP:  1.01D+00  1.04D+00  8.32D-01  1.09D+00  7.48D-01
 E= -722.029617656539     Delta-E=       -0.000001591005 Rises=F Damp=F
 DIIS: error= 1.12D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -722.029617656539     IErMin= 6 ErrMin= 1.12D-05
 ErrMax= 1.12D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-07 BMatP= 2.17D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.505D-03 0.417D-02-0.224D-02 0.168D+00 0.264D+00 0.567D+00
 Coeff:     -0.505D-03 0.417D-02-0.224D-02 0.168D+00 0.264D+00 0.567D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=3.08D-06 MaxDP=1.11D-04 DE=-1.59D-06 OVMax= 1.06D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.24D-06    CP:  1.01D+00  1.04D+00  8.35D-01  1.10D+00  7.35D-01
                    CP:  7.85D-01
 E= -722.029617759194     Delta-E=       -0.000000102655 Rises=F Damp=F
 DIIS: error= 3.42D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -722.029617759194     IErMin= 7 ErrMin= 3.42D-06
 ErrMax= 3.42D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.95D-09 BMatP= 1.15D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.111D-03-0.138D-02-0.190D-02 0.495D-01 0.918D-01 0.275D+00
 Coeff-Com:  0.587D+00
 Coeff:     -0.111D-03-0.138D-02-0.190D-02 0.495D-01 0.918D-01 0.275D+00
 Coeff:      0.587D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=9.65D-07 MaxDP=4.72D-05 DE=-1.03D-07 OVMax= 3.01D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.25D-07    CP:  1.01D+00  1.04D+00  8.36D-01  1.10D+00  7.45D-01
                    CP:  8.04D-01  8.54D-01
 E= -722.029617765994     Delta-E=       -0.000000006801 Rises=F Damp=F
 DIIS: error= 9.80D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -722.029617765994     IErMin= 8 ErrMin= 9.80D-07
 ErrMax= 9.80D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.50D-10 BMatP= 6.95D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.650D-05-0.120D-02-0.637D-03 0.291D-02 0.117D-01 0.625D-01
 Coeff-Com:  0.261D+00 0.663D+00
 Coeff:      0.650D-05-0.120D-02-0.637D-03 0.291D-02 0.117D-01 0.625D-01
 Coeff:      0.261D+00 0.663D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=2.78D-07 MaxDP=1.19D-05 DE=-6.80D-09 OVMax= 8.90D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.75D-07    CP:  1.01D+00  1.04D+00  8.37D-01  1.10D+00  7.48D-01
                    CP:  8.13D-01  8.70D-01  7.80D-01
 E= -722.029617766551     Delta-E=       -0.000000000557 Rises=F Damp=F
 DIIS: error= 2.84D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -722.029617766551     IErMin= 9 ErrMin= 2.84D-07
 ErrMax= 2.84D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.24D-11 BMatP= 5.50D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.954D-05-0.518D-03-0.205D-03-0.141D-02 0.400D-03 0.149D-01
 Coeff-Com:  0.941D-01 0.331D+00 0.562D+00
 Coeff:      0.954D-05-0.518D-03-0.205D-03-0.141D-02 0.400D-03 0.149D-01
 Coeff:      0.941D-01 0.331D+00 0.562D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=7.08D-08 MaxDP=2.47D-06 DE=-5.57D-10 OVMax= 2.42D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.99D-08    CP:  1.01D+00  1.04D+00  8.37D-01  1.10D+00  7.48D-01
                    CP:  8.14D-01  8.79D-01  8.14D-01  7.84D-01
 E= -722.029617766588     Delta-E=       -0.000000000037 Rises=F Damp=F
 DIIS: error= 5.67D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -722.029617766588     IErMin=10 ErrMin= 5.67D-08
 ErrMax= 5.67D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.06D-12 BMatP= 5.24D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.268D-05-0.789D-04-0.157D-04-0.772D-03-0.924D-03 0.270D-03
 Coeff-Com:  0.142D-01 0.706D-01 0.217D+00 0.699D+00
 Coeff:      0.268D-05-0.789D-04-0.157D-04-0.772D-03-0.924D-03 0.270D-03
 Coeff:      0.142D-01 0.706D-01 0.217D+00 0.699D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=1.69D-08 MaxDP=5.31D-07 DE=-3.66D-11 OVMax= 3.87D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.32D-08    CP:  1.01D+00  1.04D+00  8.37D-01  1.10D+00  7.47D-01
                    CP:  8.14D-01  8.81D-01  8.19D-01  8.14D-01  8.90D-01
 E= -722.029617766587     Delta-E=        0.000000000001 Rises=F Damp=F
 DIIS: error= 2.07D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -722.029617766588     IErMin=11 ErrMin= 2.07D-08
 ErrMax= 2.07D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.86D-13 BMatP= 2.06D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.714D-06-0.104D-04 0.241D-05-0.276D-03-0.457D-03-0.698D-03
 Coeff-Com:  0.156D-02 0.139D-01 0.677D-01 0.316D+00 0.602D+00
 Coeff:      0.714D-06-0.104D-04 0.241D-05-0.276D-03-0.457D-03-0.698D-03
 Coeff:      0.156D-02 0.139D-01 0.677D-01 0.316D+00 0.602D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=4.20D-09 MaxDP=2.27D-07 DE= 1.14D-12 OVMax= 1.21D-07

 SCF Done:  E(RB3LYP) =  -722.029617767     A.U. after   11 cycles
            NFock= 11  Conv=0.42D-08     -V/T= 2.0040
 KE= 7.191540771340D+02 PE=-2.454598050486D+03 EE= 6.381271890627D+02
 Leave Link  502 at Thu Aug 12 19:35:54 2021, MaxMem=  5368709120 cpu:             275.4 elap:              34.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   228
 NBasis=   228 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    228 NOA=    32 NOB=    32 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.48330618D+02

 Leave Link  801 at Thu Aug 12 19:35:54 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4334 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.05D-13 8.33D-09 XBig12= 1.00D+00 2.73D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.05D-13 8.33D-09 XBig12= 3.62D-01 1.15D-01.
     11 vectors produced by pass  2 Test12= 1.05D-13 8.33D-09 XBig12= 4.74D-02 3.20D-02.
     11 vectors produced by pass  3 Test12= 1.05D-13 8.33D-09 XBig12= 3.39D-03 9.77D-03.
     11 vectors produced by pass  4 Test12= 1.05D-13 8.33D-09 XBig12= 1.05D-04 2.01D-03.
     11 vectors produced by pass  5 Test12= 1.05D-13 8.33D-09 XBig12= 2.08D-06 2.59D-04.
     11 vectors produced by pass  6 Test12= 1.05D-13 8.33D-09 XBig12= 3.49D-08 2.31D-05.
     11 vectors produced by pass  7 Test12= 1.05D-13 8.33D-09 XBig12= 3.29D-10 2.44D-06.
      9 vectors produced by pass  8 Test12= 1.05D-13 8.33D-09 XBig12= 1.72D-12 1.78D-07.
      3 vectors produced by pass  9 Test12= 1.05D-13 8.33D-09 XBig12= 7.25D-15 1.13D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   100 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.949641D+02
      2 -0.608975D+00  0.784104D+02
      3 -0.108448D+01  0.283290D+00  0.616372D+02
 Isotropic polarizability for W=    0.088559       78.34 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.936425D+02 -0.677771D+01  0.274969D+01
      2  -0.548148D+02  0.201066D+01  0.126946D-01
      3  -0.388278D+02  0.476705D+01 -0.276239D+01
      4  -0.710850D+01  0.139854D+02 -0.415684D+01
      5   0.691739D+01 -0.567769D+01  0.650636D+02
      6  -0.133948D+01  0.371724D+01  0.383748D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.734992D-01 -0.321337D+01 -0.205456D+01
      2   0.438840D+01 -0.797735D+00  0.346465D+02
      3   0.690534D+01 -0.113288D+02  0.135077D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.152086D+01  0.370455D+01  0.929571D+00
      2  -0.416770D+01 -0.281736D+01  0.103891D+03
      3  -0.330797D+00 -0.688001D+02  0.433821D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.103696D+00 -0.351652D+00 -0.113785D+01
      2  -0.351652D+00  0.779578D-02 -0.144303D+01
      3  -0.113785D+01 -0.144303D+01  0.722435D+00
 OR G Eigenvalues:    -1.7512     0.2832     2.0945  Iso=    -0.2088
 Eigenvectors:
   (1)   0.538509   0.596163   0.595482
   (2)   0.773244  -0.630442  -0.068100
   (3)  -0.334818  -0.497125   0.800477
 w=    0.088559 a.u., Optical Rotation Beta=     -0.2088 au.
 Molar Mass =    121.1538 grams/mole, [Alpha] ( 5145.0 A) =      -87.41 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   26106 ScalPx= 7.69D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   26106 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 6.42D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.74D-14 2.78D-09 XBig12= 1.00D+00 4.74D-01.
     30 vectors produced by pass  1 Test12= 1.74D-14 2.78D-09 XBig12= 2.17D-02 4.72D-02.
     30 vectors produced by pass  2 Test12= 1.74D-14 2.78D-09 XBig12= 4.01D-04 3.03D-03.
     30 vectors produced by pass  3 Test12= 1.74D-14 2.78D-09 XBig12= 5.15D-06 2.72D-04.
     30 vectors produced by pass  4 Test12= 1.74D-14 2.78D-09 XBig12= 2.01D-08 1.42D-05.
     30 vectors produced by pass  5 Test12= 1.74D-14 2.78D-09 XBig12= 4.80D-11 6.25D-07.
     28 vectors produced by pass  6 Test12= 1.74D-14 2.78D-09 XBig12= 9.78D-14 4.21D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   208 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   26106 ScalPx= 6.86D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   26106 ScalPx= 6.86D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   26106 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.13D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.949641D+02 -0.608975D+00 -0.108448D+01
      2  -0.608975D+00  0.784104D+02  0.283290D+00
      3  -0.108448D+01  0.283290D+00  0.616372D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.734992D-01 -0.321337D+01 -0.205456D+01
      2   0.438840D+01 -0.797735D+00  0.346465D+02
      3   0.690534D+01 -0.113288D+02  0.135077D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.936425D+02 -0.677771D+01  0.274969D+01
      2  -0.548148D+02  0.201066D+01  0.126946D-01
      3  -0.388278D+02  0.476705D+01 -0.276239D+01
      4  -0.710850D+01  0.139854D+02 -0.415684D+01
      5   0.691739D+01 -0.567769D+01  0.650636D+02
      6  -0.133948D+01  0.371724D+01  0.383748D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.983846D+01 -0.304891D+01  0.123249D+01 -0.372030D+01  0.859115D+00
      2  -0.304891D+01  0.146250D+00 -0.781172D+00  0.859115D+00  0.297243D+01
      3   0.123249D+01 -0.781172D+00 -0.939946D+00  0.772326D+00  0.957672D+00
                 6             7             8             9            10 
      1   0.772326D+00  0.204952D+01  0.491709D+00  0.228765D+01  0.103924D+02
      2   0.957672D+00  0.491709D+00  0.256230D+01  0.127621D+01  0.551639D+01
      3  -0.571357D+00  0.228765D+01  0.127621D+01 -0.637661D+01 -0.278481D+01
                11            12            13            14            15 
      1   0.551639D+01 -0.278481D+01  0.877862D+01  0.136360D+00  0.103184D+01
      2  -0.534994D+00  0.119684D+01  0.136360D+00  0.590120D+01 -0.278579D+01
      3   0.119684D+01  0.145076D+01  0.103184D+01 -0.278579D+01  0.199602D+01
                16            17            18            19            20 
      1  -0.452282D+01  0.827016D+00  0.319205D+01  0.419893D+01  0.305277D+01
      2   0.827016D+00 -0.319400D+01  0.818069D+00  0.305277D+01 -0.160331D+01
      3   0.319205D+01  0.818069D+00 -0.106587D+01 -0.418639D+00  0.496961D+00
                21            22            23            24            25 
      1  -0.418639D+00  0.367231D+01  0.548449D+00  0.536864D-01 -0.130733D+01
      2   0.496961D+00  0.548449D+00 -0.321162D+01 -0.582604D+00  0.111251D+01
      3  -0.700111D+00  0.536864D-01 -0.582604D+00  0.723113D+00 -0.302610D+00
                26            27            28            29            30 
      1   0.111251D+01 -0.302610D+00 -0.101778D+01 -0.241475D+01  0.679098D+00
      2  -0.139044D+01  0.557101D-02 -0.241475D+01 -0.158777D+01  0.870911D-01
      3   0.557101D-02  0.621983D+01  0.679098D+00  0.870911D-01 -0.187956D+01
                31            32            33            34            35 
      1  -0.143180D+01 -0.245620D+01  0.286947D+00  0.105773D+01  0.296872D+00
      2  -0.245620D+01  0.388713D+01  0.973713D+00  0.296872D+00  0.128335D+01
      3   0.286947D+00  0.973713D+00 -0.116611D+01 -0.224308D+01 -0.992161D+00
                36            37            38            39            40 
      1  -0.224308D+01 -0.369027D+01 -0.251138D+01 -0.315862D-01 -0.190585D+01
      2  -0.992161D+00 -0.251138D+01  0.128633D+01  0.125582D+00  0.342771D+01
      3  -0.306800D+01 -0.315862D-01  0.125582D+00 -0.462044D+00  0.350604D+00
                41            42            43            44            45 
      1   0.342771D+01  0.350604D+00  0.131321D+01  0.408399D+00 -0.303429D+00
      2   0.648734D+01  0.179315D+00  0.408399D+00  0.715786D+00  0.231753D+00
      3   0.179315D+00  0.444502D+00 -0.303429D+00  0.231753D+00 -0.324439D+00
                46            47            48            49            50 
      1  -0.210952D+01 -0.325198D+01 -0.205294D+00 -0.479880D+01 -0.355198D+01
      2  -0.325198D+01 -0.263020D+01 -0.216315D+00 -0.355198D+01 -0.130081D+02
      3  -0.205294D+00 -0.216315D+00 -0.108026D+00 -0.256667D+00 -0.350961D+00
                51            52            53            54            55 
      1  -0.256667D+00 -0.658265D+00 -0.161595D+00 -0.121010D+01 -0.842696D+01
      2  -0.350961D+00 -0.161595D+00 -0.275404D+00 -0.314938D+01  0.206541D+01
      3  -0.243745D+01 -0.121010D+01 -0.314938D+01 -0.232749D+00  0.522711D+00
                56            57            58            59            60 
      1   0.206541D+01  0.522711D+00 -0.184835D+01 -0.448019D+01 -0.763873D-01
      2  -0.242665D+01 -0.184397D+00 -0.448019D+01 -0.124458D+01  0.405386D-01
      3  -0.184397D+00 -0.791063D+00 -0.763873D-01  0.405386D-01  0.428220D+00
                61            62            63            64            65 
      1   0.885296D+00 -0.307673D+00 -0.194836D+01  0.761935D+00 -0.559515D+00
      2  -0.307673D+00 -0.177623D-01  0.116401D+01 -0.559515D+00  0.343271D+00
      3  -0.194836D+01  0.116401D+01  0.774503D+00 -0.774837D+00 -0.121924D+00
                66            67            68            69            70 
      1  -0.774837D+00 -0.989079D+00  0.103436D+00  0.898784D-01 -0.227123D+01
      2  -0.121924D+00  0.103436D+00  0.521999D+00 -0.972133D+00 -0.110986D+00
      3   0.758741D+00  0.898784D-01 -0.972133D+00 -0.342862D+00 -0.111960D+00
                71            72            73            74            75 
      1  -0.110986D+00 -0.111960D+00 -0.155716D+00  0.812383D-01  0.918487D+00
      2  -0.141195D+01  0.886875D-01  0.812383D-01 -0.849129D-01  0.238122D+00
      3   0.886875D-01 -0.779427D+01  0.918487D+00  0.238122D+00 -0.614433D+00
                76            77            78            79            80 
      1   0.963499D+00 -0.425935D+00 -0.221373D-01  0.341895D+01  0.220182D+00
      2  -0.425935D+00 -0.622750D+00  0.914869D+00  0.220182D+00  0.103263D+01
      3  -0.221373D-01  0.914869D+00  0.272150D+00 -0.203524D+01 -0.161957D+01
                81            82            83            84            85 
      1  -0.203524D+01 -0.459056D+00 -0.377898D+00 -0.366264D+00 -0.235372D+01
      2  -0.161957D+01 -0.377898D+00 -0.581197D-01  0.138374D+00 -0.959919D+00
      3   0.772651D+01 -0.366264D+00  0.138374D+00  0.106275D+00 -0.762644D-01
                86            87            88            89            90 
      1  -0.959919D+00 -0.762644D-01 -0.172484D+01 -0.276161D+00 -0.411736D+00
      2  -0.735888D+01 -0.411435D+00 -0.276161D+00 -0.157045D+01 -0.111608D+01
      3  -0.411435D+00 -0.791773D+00 -0.411736D+00 -0.111608D+01 -0.687140D-02
                91            92            93            94            95 
      1   0.182485D+01  0.224428D+01 -0.112168D+00  0.564790D+01  0.762779D-01
      2   0.224428D+01  0.325769D+00  0.108016D+00  0.762779D-01  0.500585D+01
      3  -0.112168D+00  0.108016D+00 -0.408596D+00 -0.178282D+00  0.269539D+00
                96            97            98            99           100 
      1  -0.178282D+00 -0.116350D+00 -0.924055D-01 -0.742338D+00  0.195333D+01
      2   0.269539D+00 -0.924055D-01  0.923137D-01  0.651567D+00  0.195458D+01
      3   0.922897D+00 -0.742338D+00  0.651567D+00  0.174280D+00 -0.802163D+00
               101           102           103           104           105 
      1   0.195458D+01 -0.802163D+00  0.260541D+01  0.209073D+01 -0.828580D+00
      2   0.298574D+01 -0.962116D+00  0.209073D+01  0.424776D+01 -0.115971D+01
      3  -0.962116D+00  0.108223D+01 -0.828580D+00 -0.115971D+01  0.139969D+01
               106           107           108           109           110 
      1  -0.236457D+01 -0.122940D+01  0.109862D+01  0.132461D+00  0.697865D+00
      2  -0.122940D+01 -0.263926D+01  0.174478D+01  0.697865D+00  0.829127D+00
      3   0.109862D+01  0.174478D+01 -0.188153D+01  0.640905D+00  0.791199D+00
               111           112           113           114           115 
      1   0.640905D+00  0.685017D+00  0.343129D+00  0.427162D+00  0.201969D+01
      2   0.791199D+00  0.343129D+00  0.148531D+01  0.793217D+00  0.407859D+00
      3   0.121104D+01  0.427162D+00  0.793217D+00  0.916956D+00  0.145392D+01
               116           117           118           119           120 
      1   0.407859D+00  0.145392D+01  0.643381D+01 -0.344810D+01  0.150207D+01
      2   0.238408D+01  0.181669D+01 -0.344810D+01  0.300946D+01 -0.916261D+00
      3   0.181669D+01  0.534147D+01  0.150207D+01 -0.916261D+00  0.129473D+01
               121           122           123           124           125 
      1  -0.530487D+01  0.428901D+01 -0.157412D+01  0.222101D+01 -0.158633D+01
      2   0.428901D+01 -0.506308D+01  0.213377D+01 -0.158633D+01  0.242880D+01
      3  -0.157412D+01  0.213377D+01 -0.179399D+01  0.127662D+01 -0.920137D+00
               126 
      1   0.127662D+01
      2  -0.920137D+00
      3   0.513745D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.982431D+00 -0.133752D+01  0.664969D+00  0.267038D+00  0.575060D+01
      2   0.586750D+01 -0.187868D+01 -0.411365D+01  0.162184D+01 -0.105271D+01
      3   0.578760D+01  0.467744D+01  0.169567D+01  0.128072D+02 -0.330081D+01
                 6             7             8             9            10 
      1  -0.311400D+01  0.544975D+01  0.405060D+01 -0.509493D+01  0.293275D+00
      2  -0.215072D+01 -0.843214D+01 -0.311867D+00 -0.189227D+01 -0.124090D+02
      3  -0.301504D+01 -0.227653D+01 -0.358658D+01 -0.402098D+01 -0.204037D+02
                11            12            13            14            15 
      1   0.172025D+01  0.271321D+00  0.151035D+01  0.100535D+01 -0.566115D+01
      2   0.260004D+01  0.820046D+01  0.105065D+01 -0.796766D+01  0.716877D+01
      3  -0.196096D+01 -0.143131D+01  0.192625D+02 -0.209078D+02  0.737522D+01
                16            17            18            19            20 
      1  -0.410782D+00  0.100367D+02 -0.174399D+01 -0.197034D+01  0.825243D+00
      2  -0.105495D+02  0.336827D+01 -0.157331D+01  0.736937D+00 -0.103773D+01
      3  -0.249246D+00  0.957298D+01 -0.331445D+01  0.173799D+01 -0.537438D+01
                21            22            23            24            25 
      1  -0.685092D+00  0.411511D+00  0.683710D+00 -0.474588D+00 -0.225189D+01
      2   0.278810D+01  0.187805D+01 -0.107555D+01  0.385167D+01 -0.326467D+01
      3   0.642385D+00 -0.348841D+01 -0.230986D+01  0.678058D-01 -0.430282D+00
                26            27            28            29            30 
      1   0.446826D+01 -0.419153D+00 -0.161973D+01 -0.150595D+01  0.601069D+01
      2  -0.241761D+00 -0.404158D+01 -0.449548D-01  0.133383D+01  0.582873D+01
      3   0.269282D+01  0.582540D+00 -0.222929D+01 -0.155849D+02  0.129646D+01
                31            32            33            34            35 
      1  -0.286767D+01 -0.457891D+01 -0.205306D+01  0.594940D+01  0.756941D+01
      2   0.200725D+00  0.240071D+00 -0.159627D+01 -0.197206D+01 -0.954384D-01
      3  -0.245660D+00 -0.170249D+00  0.190927D+01  0.288994D+01  0.224887D+01
                36            37            38            39            40 
      1   0.571482D+01  0.119958D+01  0.815986D+00  0.164354D+00  0.174771D+01
      2   0.255831D+01 -0.331326D+01 -0.131372D+00 -0.630482D+01  0.255488D+00
      3  -0.715732D+01 -0.860996D+01  0.199832D+01 -0.118994D+00  0.896098D-01
                41            42            43            44            45 
      1  -0.674564D+00  0.952302D+01 -0.194649D+00  0.951779D+01  0.885793D+00
      2   0.158481D+01 -0.245465D+01 -0.200354D+02 -0.152739D+01  0.361502D+01
      3   0.138554D+02 -0.117498D+01  0.780361D+00 -0.210267D+01  0.936806D+00
                46            47            48            49            50 
      1  -0.339535D-02  0.524684D-01 -0.291325D+01  0.929936D-01  0.133915D+01
      2   0.134505D+00  0.614605D+00  0.581348D+01 -0.246006D+01 -0.675355D+00
      3  -0.144230D+01 -0.736913D+01 -0.519370D+00  0.110029D+02 -0.237296D+02
                51            52            53            54            55 
      1  -0.112172D+02 -0.531909D+00  0.844598D+00 -0.149496D+00 -0.106176D+01
      2   0.561987D+01  0.351955D+01  0.587794D+01 -0.227993D+00 -0.147672D+00
      3   0.170250D+00 -0.122331D+01  0.126533D+00 -0.589373D+01 -0.485002D+01
                56            57            58            59            60 
      1  -0.970703D+00  0.286743D+01 -0.466379D+00 -0.861246D+00 -0.378674D+01
      2   0.951258D+00  0.961625D+01  0.193382D+01 -0.318660D-01 -0.141533D+01
      3  -0.180065D+02 -0.547775D+00 -0.143501D+02 -0.117939D+02  0.480596D-02
                61            62            63            64            65 
      1   0.709189D+00  0.220012D+01 -0.529750D+00  0.340521D+00 -0.819413D+00
      2   0.696456D+01 -0.157109D+01 -0.300890D+01  0.270240D+01 -0.517379D+00
      3   0.226294D+00  0.162332D+01  0.245845D+01  0.174970D+00 -0.163032D+00
                66            67            68            69            70 
      1   0.403197D-01 -0.284462D+00 -0.608719D+00 -0.285581D+00  0.444894D+00
      2   0.188312D+00 -0.612218D+00  0.801192D+00 -0.403308D+00 -0.369919D+01
      3  -0.318181D+00  0.202075D+01 -0.622670D-01 -0.134018D+00  0.336627D+00
                71            72            73            74            75 
      1   0.269327D+01  0.109225D+01  0.112127D+01 -0.105698D+01 -0.128861D+01
      2   0.104712D+00  0.247425D+01  0.176373D+01  0.715124D+00  0.278823D+01
      3  -0.598863D+00  0.440902D+00  0.144346D+01 -0.193651D+01 -0.153702D+01
                76            77            78            79            80 
      1  -0.813294D+00 -0.266440D-01 -0.860592D-01 -0.251448D+01  0.140969D+01
      2  -0.692200D-02  0.117283D+01  0.597941D+00 -0.402612D+01 -0.615060D+00
      3  -0.308238D+00  0.207323D+00 -0.417566D+00 -0.402450D+01 -0.310221D+00
                81            82            83            84            85 
      1   0.657246D+01 -0.114900D+01 -0.386970D+00 -0.906877D+00 -0.827466D+00
      2   0.364144D+01  0.222496D+00  0.940027D+00  0.203674D+01  0.113872D+01
      3   0.385469D+01  0.258105D+01 -0.413630D+00 -0.286431D+00  0.553561D+01
                86            87            88            89            90 
      1  -0.377913D+01 -0.288385D+01 -0.885752D+00 -0.126275D+01 -0.190238D-01
      2   0.162318D+01 -0.216883D+00 -0.767191D+00 -0.310896D+00 -0.749912D+00
      3   0.654371D+01  0.964043D+00  0.249371D+01  0.190520D+01  0.149636D+01
                91            92            93            94            95 
      1   0.782981D+00  0.748344D+00  0.896485D+00  0.598484D+00  0.108344D+01
      2  -0.801715D+00 -0.929452D+00 -0.152655D+01 -0.718123D+00 -0.122407D+01
      3   0.896692D+01  0.110356D+02  0.149348D+00  0.145184D+02  0.197867D+02
                96            97            98            99           100 
      1  -0.121582D+01  0.108893D+01  0.105301D+01  0.114271D+00  0.218281D+01
      2  -0.257452D+01 -0.177945D+01 -0.206691D+01 -0.124326D+00  0.166275D+01
      3   0.818282D+00 -0.327949D+00 -0.364128D+00  0.126954D+00  0.699031D+01
               101           102           103           104           105 
      1   0.217557D+01 -0.359490D+01  0.234888D+01  0.260787D+01 -0.331035D+01
      2  -0.184436D+00 -0.145623D+00  0.394732D+00  0.674003D+00  0.666785D+00
      3   0.414717D+01 -0.234378D+01  0.844778D+01  0.475557D+01 -0.293290D+01
               106           107           108           109           110 
      1  -0.335415D+01 -0.244313D+01  0.371559D+01 -0.137023D+01 -0.651848D+00
      2  -0.234470D+01  0.204019D+00 -0.360812D+00 -0.199258D+01  0.365867D+00
      3  -0.701575D+01 -0.392057D+01  0.357595D+01  0.214917D+01  0.914360D+00
               111           112           113           114           115 
      1  -0.332456D+01 -0.531360D+00 -0.171481D+01 -0.224086D+01 -0.415761D+01
      2  -0.485818D+00 -0.583155D-01 -0.430803D+00  0.400106D+00 -0.338232D+01
      3   0.108466D+01  0.236350D+01  0.458964D+00  0.115884D+01  0.503150D+01
               116           117           118           119           120 
      1  -0.194865D+01 -0.112054D+02  0.271587D+00  0.391528D+00  0.179772D+01
      2  -0.349453D+00 -0.221179D+01  0.507718D+01 -0.269984D+01  0.613398D+01
      3   0.139394D+01  0.494713D+01  0.800679D+01 -0.111686D+02  0.209257D+01
               121           122           123           124           125 
      1  -0.644661D+00 -0.367948D+00 -0.401159D+01  0.356035D+00  0.101575D+01
      2  -0.461839D+01  0.636192D+01 -0.749346D+01  0.228662D+01 -0.215970D+01
      3  -0.101738D+02  0.163615D+02 -0.533638D+01  0.378914D+01 -0.868063D+01
               126 
      1   0.120835D+01
      2   0.244425D+01
      3   0.196670D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.465130D+02 -0.520011D+01  0.120351D+01 -0.992349D+01  0.935924D+01
      2   0.261042D+02  0.347005D+01 -0.268815D+01  0.563751D+01 -0.123554D+02
      3   0.204088D+02  0.173006D+01  0.148464D+01  0.428598D+01  0.299621D+01
      4  -0.547234D+01 -0.807345D+01 -0.313417D+01  0.772993D+01  0.123760D+01
      5   0.744543D+01 -0.275220D+01 -0.131798D+02  0.502033D+01  0.823801D+00
      6  -0.313800D+01  0.220799D+01 -0.170079D+01  0.153539D+01 -0.434097D+01
                 6             7             8             9            10 
      1   0.654150D+01  0.490152D+01  0.599574D+01  0.174968D+02  0.680456D+02
      2  -0.600901D+01 -0.703710D+01 -0.551023D+01 -0.286309D+01 -0.404438D+02
      3  -0.532483D+00  0.213558D+01 -0.485509D+00 -0.146338D+02 -0.276019D+02
      4   0.534732D+00  0.408921D+01  0.584643D+01  0.174454D+01  0.299739D+02
      5  -0.563609D+01  0.967140D+01  0.248881D+01 -0.404602D+01 -0.182755D+02
      6   0.314293D+01 -0.342787D+01  0.212139D+01  0.595380D+01  0.410125D+01
                11            12            13            14            15 
      1   0.274258D+02 -0.157277D+02  0.381689D+02 -0.105590D+02  0.114005D+01
      2  -0.141601D+02  0.591894D+01 -0.198618D+02  0.125185D+02  0.259639D+01
      3  -0.132658D+02  0.980878D+01 -0.183071D+02 -0.195955D+01 -0.373645D+01
      4   0.709738D+01  0.836257D+01  0.108609D+02  0.303754D+02 -0.161478D+02
      5   0.753984D+01  0.231473D+02  0.724223D+01 -0.156007D+02  0.116427D+02
      6  -0.192962D+01  0.484367D+00 -0.430889D+01  0.796924D+01  0.154859D+02
                16            17            18            19            20 
      1  -0.191005D+02 -0.248558D+00 -0.203322D+01 -0.616209D+00 -0.169889D+01
      2   0.820861D+01 -0.748268D+00 -0.181195D+02  0.357376D+01  0.481310D+00
      3   0.108919D+02  0.996826D+00  0.201527D+02 -0.295755D+01  0.121758D+01
      4   0.848257D+01 -0.177821D+02  0.513017D+01 -0.487319D+01  0.627223D+01
      5   0.301293D+02  0.609747D+01 -0.389832D+01  0.833199D+00  0.746389D+00
      6   0.875389D+00  0.118555D+02  0.679323D+01  0.738231D+00 -0.211458D+01
                21            22            23            24            25 
      1  -0.118263D+01  0.667333D+01  0.571639D+01  0.111545D+01 -0.662093D+01
      2  -0.653858D+00 -0.289777D+01 -0.917727D+01 -0.615969D+00  0.329854D+01
      3   0.183649D+01 -0.377555D+01  0.346088D+01 -0.499482D+00  0.332239D+01
      4   0.513099D+00 -0.855008D+01  0.834640D+01  0.107412D+01 -0.131765D+01
      5   0.197112D+01  0.747128D+00  0.157242D+01  0.500652D+01 -0.155935D+01
      6  -0.162587D-02 -0.167472D+01 -0.205366D+00 -0.356896D+01  0.542752D-01
                26            27            28            29            30 
      1   0.949107D+00  0.675767D+01  0.197029D+02  0.558066D+01  0.113445D+01
      2  -0.405706D+01  0.926735D+01 -0.157360D+02 -0.872352D+01  0.286671D+01
      3   0.310795D+01 -0.160250D+02 -0.396692D+01  0.314286D+01 -0.400116D+01
      4  -0.138342D+01 -0.631670D-01 -0.370054D+01 -0.341171D+01  0.150258D+01
      5  -0.923201D+00 -0.212789D+01  0.593387D+00  0.792045D+00  0.437098D+01
      6   0.102780D+01  0.157435D+01  0.327613D+01  0.334841D+01 -0.105586D+02
                31            32            33            34            35 
      1   0.260081D+01 -0.145664D+02 -0.305416D+01 -0.195532D+01 -0.227351D+01
      2  -0.849731D+01  0.237947D+02  0.567575D+01  0.414286D+01  0.696256D+01
      3   0.589650D+01 -0.922831D+01 -0.262160D+01 -0.218754D+01 -0.468905D+01
      4   0.245657D+01 -0.127620D+02  0.478775D+00  0.251004D+01  0.170858D+01
      5   0.476567D+00 -0.352022D+00 -0.334584D+01  0.363224D+01 -0.298209D+01
      6   0.290014D+01  0.682914D+01  0.974339D+00 -0.111793D+02 -0.313856D+01
                36            37            38            39            40 
      1   0.455127D+01 -0.610415D+01  0.144445D+02  0.553263D+00 -0.176530D+01
      2  -0.322756D+01  0.160274D+01 -0.133556D+02 -0.291800D+01 -0.386503D+01
      3  -0.132371D+01  0.450141D+01 -0.108887D+01  0.236473D+01  0.563033D+01
      4  -0.838751D+01  0.861297D+01 -0.153040D+02 -0.183492D+01 -0.268562D+02
      5  -0.668479D-01 -0.517502D+00 -0.244858D+01 -0.910145D+01 -0.448327D+01
      6  -0.890878D+01 -0.566938D+00 -0.687020D+00  0.161870D+01 -0.988076D+00
                41            42            43            44            45 
      1   0.369802D+01  0.608189D+00  0.551471D+01 -0.325571D+01 -0.521891D+01
      2  -0.158928D+02  0.119516D+01 -0.449359D+01  0.134302D+01 -0.611061D+01
      3   0.121948D+02 -0.180335D+01 -0.102112D+01  0.191269D+01  0.113295D+02
      4  -0.303054D+02 -0.781206D+00 -0.291090D+01  0.187468D+01 -0.209801D+01
      5  -0.160336D+01 -0.326219D+01  0.275449D+01 -0.174249D+01  0.403499D+01
      6  -0.249966D+01 -0.139613D+02 -0.305061D+00  0.383555D+01 -0.878319D+00
                46            47            48            49            50 
      1   0.124970D+02  0.679418D+01  0.199652D-01  0.108426D+02 -0.210990D+02
      2  -0.203252D+01  0.267521D+01  0.328457D+00  0.295176D+01  0.422910D+02
      3  -0.104645D+02 -0.946939D+01 -0.348422D+00 -0.137943D+02 -0.211921D+02
      4   0.210634D+02  0.251667D+02  0.176220D+01  0.305906D+02  0.580608D+02
      5   0.174788D+01  0.206334D+01  0.920788D+01  0.239947D+01  0.278734D+01
      6   0.964354D+00  0.977223D+00  0.387855D+01  0.167903D+01  0.266889D+01
                51            52            53            54            55 
      1  -0.168545D+01 -0.620940D+00 -0.569940D+00 -0.309575D+01  0.568383D+02
      2   0.324818D+00  0.879763D+00 -0.236164D+00  0.268201D+01 -0.341046D+02
      3   0.136063D+01 -0.258822D+00  0.806103D+00  0.413742D+00 -0.227337D+02
      4   0.201991D+01  0.901870D+00  0.424296D+00  0.137600D+02 -0.227702D+02
      5   0.114494D+02  0.104385D+02  0.139447D+02  0.135324D+01 -0.310578D+01
      6   0.174311D+02  0.470495D+01  0.139794D+02  0.135089D+01  0.622622D+00
                56            57            58            59            60 
      1  -0.105280D+02 -0.133450D+01  0.714474D+01  0.143184D+02 -0.676880D+00
      2   0.388580D+01  0.228217D+01 -0.758801D+01 -0.642450D+01 -0.196187D+00
      3   0.664221D+01 -0.947665D+00  0.443267D+00 -0.789387D+01  0.873068D+00
      4   0.212784D+02  0.194175D+01  0.217631D+02 -0.255339D+01 -0.127641D+01
      5   0.150947D+01  0.179360D+02 -0.106738D+00 -0.141568D+01 -0.425716D+01
      6  -0.108724D+00 -0.480169D+01 -0.794738D+00  0.631472D+00  0.762576D+01
                61            62            63            64            65 
      1  -0.250391D+01  0.147787D+01  0.708357D+01  0.176803D+01  0.697287D-01
      2   0.250186D+01 -0.545767D+00 -0.892468D+01 -0.398640D+01 -0.112988D+00
      3   0.204617D-02 -0.932099D+00  0.184112D+01  0.221837D+01  0.432593D-01
      4   0.196773D+01 -0.166350D+01 -0.607765D+01 -0.362810D+00  0.471152D+00
      5   0.164920D+02 -0.663032D+01 -0.577980D+01 -0.315344D-01 -0.316868D+00
      6  -0.219774D+01  0.499804D+01  0.109909D+01 -0.316311D+00  0.423458D+00
                66            67            68            69            70 
      1   0.130060D+01  0.543903D+00 -0.479766D+01 -0.263861D+00  0.961339D+00
      2   0.569460D+00  0.355109D+00  0.101648D+01 -0.837745D+00  0.112539D+01
      3  -0.187006D+01 -0.899012D+00  0.378118D+01  0.110161D+01 -0.208673D+01
      4  -0.521290D+00  0.223209D+01 -0.908441D+00  0.329066D+00  0.133156D+01
      5   0.412381D+01  0.249705D+00  0.105929D+00 -0.497148D+00  0.372237D+01
      6   0.353656D+00  0.314309D+00  0.541404D+00  0.663041D+01  0.117953D+00
                71            72            73            74            75 
      1   0.177548D+01 -0.188964D+02  0.234235D+01 -0.612053D+00  0.361904D+01
      2  -0.987701D+00 -0.130051D+02 -0.449403D+01  0.824727D-01  0.104416D+01
      3  -0.787780D+00  0.319015D+02  0.215168D+01  0.529580D+00 -0.466320D+01
      4   0.895668D+00 -0.348885D+00  0.604112D-01  0.270845D+01 -0.714607D+00
      5   0.135528D+00  0.140686D+01 -0.250812D+01  0.141012D+00  0.809899D+01
      6   0.372406D+01 -0.276860D+01 -0.521397D+00 -0.101564D+01  0.148730D+01
                76            77            78            79            80 
      1   0.258770D+01 -0.515002D+01  0.197841D+01  0.130062D+02  0.583662D+01
      2  -0.780384D+00  0.252812D+01 -0.139956D+01 -0.202633D+01 -0.103637D+01
      3  -0.180732D+01  0.262190D+01 -0.578846D+00 -0.109799D+02 -0.480025D+01
      4   0.220480D+00  0.139595D+00  0.773379D+00 -0.207524D+01  0.116190D+00
      5  -0.578241D+00  0.825792D+00  0.823720D+00  0.121595D+01 -0.247809D+01
      6  -0.105050D+01 -0.236714D+01  0.502005D+01  0.304334D+01  0.560707D+01
                81            82            83            84            85 
      1  -0.267197D+02  0.281878D+01 -0.102746D+01  0.217434D+00 -0.867377D+01
      2  -0.608316D+01  0.920249D+00  0.158086D+01  0.756606D+00  0.790366D+01
      3   0.328029D+02 -0.373903D+01 -0.553402D+00 -0.974040D+00  0.770116D+00
      4  -0.850530D+00  0.188916D+01  0.560681D+01  0.141859D+01  0.207611D+01
      5   0.432110D+01  0.785482D+00  0.879291D+00  0.263337D+01 -0.554188D+00
      6  -0.123916D+02  0.143452D+01  0.102089D+00  0.974905D-01 -0.500242D-01
                86            87            88            89            90 
      1  -0.208013D+02 -0.607603D+00 -0.419222D+01 -0.427170D+01 -0.507908D+01
      2   0.297996D+02  0.242707D+01  0.371509D+01  0.536317D+01  0.323103D+01
      3  -0.899837D+01 -0.181946D+01  0.477134D+00 -0.109147D+01  0.184805D+01
      4  -0.743772D+01  0.373296D+00  0.210007D+00 -0.231344D+01 -0.993295D+00
      5   0.879326D-01 -0.489475D+00  0.348853D+00 -0.120032D+01 -0.901406D+00
      6   0.492858D+00  0.353518D+01  0.106485D+01  0.522383D+01  0.942155D+00
                91            92            93            94            95 
      1  -0.149604D+02 -0.422846D+01  0.130084D+00 -0.187632D+02 -0.696659D+01
      2   0.122243D+02  0.665289D+00 -0.151222D+00  0.986295D+01  0.108786D+02
      3   0.273613D+01  0.356317D+01  0.211376D-01  0.890023D+01 -0.391200D+01
      4  -0.402932D+01 -0.225639D+00 -0.405887D+00  0.808317D+01 -0.210714D+02
      5   0.935915D+00  0.151652D+00 -0.189211D+01  0.159459D+01 -0.462466D+00
      6  -0.168971D+00 -0.269555D+00 -0.179923D+01 -0.346167D+00  0.766824D+00
                96            97            98            99           100 
      1   0.220774D+00  0.806467D+00 -0.181187D+00 -0.604692D+00 -0.306664D+01
      2  -0.118447D+00 -0.428268D+00  0.512560D-01 -0.772655D-02  0.643237D+01
      3  -0.102326D+00 -0.378199D+00  0.129931D+00  0.612419D+00 -0.336572D+01
      4  -0.107357D+01  0.238710D-01 -0.375308D+00 -0.319066D+01  0.632942D+01
      5  -0.461071D+01  0.368067D+01 -0.295717D+01 -0.428278D+00 -0.205691D+01
      6   0.188429D+01 -0.184808D+01  0.289602D+01  0.249056D+00 -0.515717D+01
               101           102           103           104           105 
      1  -0.801003D+01  0.197905D+01 -0.559912D+01 -0.120970D+02  0.381376D+01
      2   0.123272D+02 -0.386119D+01  0.897398D+01  0.187275D+02 -0.620521D+01
      3  -0.431722D+01  0.188214D+01 -0.337486D+01 -0.663049D+01  0.239145D+01
      4   0.894572D+01 -0.347183D+01  0.904359D+01  0.790143D+01 -0.332878D+01
      5  -0.196580D+01  0.208982D+01 -0.395670D+00 -0.177124D+01  0.151743D+01
      6  -0.614558D+01  0.628801D+01 -0.518164D+01 -0.837345D+01  0.691322D+01
               106           107           108           109           110 
      1   0.319674D+01  0.780722D+01 -0.689860D+01 -0.169190D+01 -0.359178D+01
      2  -0.445042D+01 -0.925409D+01  0.502137D+01  0.116173D+01  0.382307D+01
      3   0.125367D+01  0.144687D+01  0.187723D+01  0.530169D+00 -0.231294D+00
      4  -0.521781D+01 -0.442802D+01  0.462921D+01  0.839583D+00  0.376558D+01
      5   0.211466D+01  0.209508D+01 -0.223535D+01  0.132147D+01  0.115140D+01
      6   0.622265D+01  0.105556D+02 -0.860616D+01  0.242242D+01  0.345165D+01
               111           112           113           114           115 
      1  -0.269375D+01 -0.687181D+00 -0.432676D+01 -0.239198D+01 -0.170104D+01
      2   0.125159D+01  0.102089D+01  0.496078D+01  0.290443D+01 -0.266941D+00
      3   0.144216D+01 -0.333711D+00 -0.634016D+00 -0.512451D+00  0.196798D+01
      4   0.231419D+01  0.387950D+01  0.235165D+01  0.205597D+01  0.455500D+01
      5   0.213574D+01  0.261124D+00  0.124062D+01  0.159434D+01  0.225959D+01
      6   0.612254D+01  0.257935D+01  0.365251D+01  0.626664D+01  0.628677D+01
               116           117           118           119           120 
      1  -0.694537D+01 -0.105687D+02  0.355581D+02 -0.202301D+02  0.933522D+01
      2   0.511400D+01 -0.773745D+00 -0.145314D+02  0.776688D+01 -0.402268D+01
      3   0.183137D+01  0.113424D+02 -0.210267D+02  0.124632D+02 -0.531254D+01
      4   0.221546D+01  0.421495D+01 -0.281694D+02  0.241128D+02 -0.744898D+01
      5   0.119257D+01  0.201913D+01  0.117481D+02 -0.720769D+01  0.100956D+02
      6   0.905966D+01  0.198720D+02 -0.369073D+01  0.175989D+01 -0.146871D+01
               121           122           123           124           125 
      1  -0.227439D+02  0.149980D+02 -0.692706D+01  0.903083D+01 -0.628492D+01
      2   0.597245D+01  0.188183D+01  0.636227D+00 -0.444648D+01  0.335277D+01
      3   0.167714D+02 -0.168799D+02  0.629083D+01 -0.458435D+01  0.293215D+01
      4   0.314343D+02 -0.339835D+02  0.138840D+02 -0.125503D+02  0.148645D+02
      5  -0.118730D+02  0.137616D+02 -0.993547D+01  0.100635D+02 -0.764946D+01
      6   0.430205D+01 -0.548246D+01  0.425775D+01 -0.402114D+01  0.666505D+01
               126 
      1   0.213419D+01
      2  -0.217807D+01
      3   0.438743D-01
      4  -0.746911D+01
      5   0.526409D+01
      6  -0.399776D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 19:42:05 2021, MaxMem=  5368709120 cpu:            2949.6 elap:             370.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -88.89824 -19.19395 -19.14044 -14.36444 -10.32245
 Alpha  occ. eigenvalues --  -10.25974 -10.23723  -7.95942  -5.92361  -5.92018
 Alpha  occ. eigenvalues --   -5.91344  -1.11568  -1.03517  -0.93892  -0.81395
 Alpha  occ. eigenvalues --   -0.73593  -0.64729  -0.60954  -0.56547  -0.52742
 Alpha  occ. eigenvalues --   -0.49782  -0.46759  -0.45327  -0.44783  -0.43492
 Alpha  occ. eigenvalues --   -0.39659  -0.38218  -0.35151  -0.32750  -0.31893
 Alpha  occ. eigenvalues --   -0.27540  -0.25992
 Alpha virt. eigenvalues --   -0.03520  -0.01239  -0.00679  -0.00097   0.00724
 Alpha virt. eigenvalues --    0.01528   0.02420   0.03320   0.04006   0.05809
 Alpha virt. eigenvalues --    0.06182   0.06468   0.07065   0.07748   0.08437
 Alpha virt. eigenvalues --    0.09076   0.09545   0.10090   0.10365   0.10809
 Alpha virt. eigenvalues --    0.11504   0.11853   0.12281   0.13183   0.13354
 Alpha virt. eigenvalues --    0.13804   0.15101   0.16415   0.16836   0.17258
 Alpha virt. eigenvalues --    0.19204   0.19343   0.20701   0.21082   0.21608
 Alpha virt. eigenvalues --    0.21748   0.22581   0.23888   0.24794   0.24975
 Alpha virt. eigenvalues --    0.26693   0.26934   0.27646   0.29056   0.29529
 Alpha virt. eigenvalues --    0.30742   0.31375   0.32441   0.33284   0.33867
 Alpha virt. eigenvalues --    0.34521   0.35077   0.35466   0.36971   0.38021
 Alpha virt. eigenvalues --    0.39204   0.39887   0.40675   0.41457   0.41853
 Alpha virt. eigenvalues --    0.43295   0.43472   0.44804   0.45771   0.46798
 Alpha virt. eigenvalues --    0.47678   0.49023   0.50426   0.50903   0.51615
 Alpha virt. eigenvalues --    0.53436   0.54517   0.55075   0.56038   0.56978
 Alpha virt. eigenvalues --    0.58224   0.59130   0.61047   0.62078   0.62897
 Alpha virt. eigenvalues --    0.63686   0.64446   0.66242   0.68012   0.68816
 Alpha virt. eigenvalues --    0.70121   0.70786   0.71791   0.73962   0.76143
 Alpha virt. eigenvalues --    0.76894   0.78504   0.80654   0.81071   0.82018
 Alpha virt. eigenvalues --    0.84531   0.85486   0.87246   0.87943   0.89515
 Alpha virt. eigenvalues --    0.91935   0.92420   0.95665   0.96306   0.97585
 Alpha virt. eigenvalues --    0.97908   1.00402   1.01236   1.03601   1.04460
 Alpha virt. eigenvalues --    1.05962   1.07658   1.09753   1.10815   1.11790
 Alpha virt. eigenvalues --    1.13519   1.14828   1.15754   1.18261   1.22772
 Alpha virt. eigenvalues --    1.25316   1.25700   1.28394   1.29240   1.32000
 Alpha virt. eigenvalues --    1.35799   1.38556   1.41353   1.44457   1.47760
 Alpha virt. eigenvalues --    1.51423   1.51966   1.53604   1.56121   1.59182
 Alpha virt. eigenvalues --    1.60224   1.62703   1.64226   1.67379   1.69027
 Alpha virt. eigenvalues --    1.69165   1.72681   1.73225   1.75722   1.81170
 Alpha virt. eigenvalues --    1.81658   1.83571   1.86335   1.88772   1.90288
 Alpha virt. eigenvalues --    1.90710   1.97315   1.98023   2.00974   2.03420
 Alpha virt. eigenvalues --    2.05497   2.08187   2.09408   2.10274   2.13015
 Alpha virt. eigenvalues --    2.14097   2.16008   2.20147   2.23419   2.25616
 Alpha virt. eigenvalues --    2.26031   2.29023   2.35368   2.35494   2.40262
 Alpha virt. eigenvalues --    2.46171   2.50930   2.51859   2.59349   2.61053
 Alpha virt. eigenvalues --    2.63777   2.67703   2.73733   2.77412   2.83588
 Alpha virt. eigenvalues --    2.94836   2.99953   3.01029   3.12181   3.30010
 Alpha virt. eigenvalues --    3.31093   3.34944   3.36442   3.39185   3.42686
 Alpha virt. eigenvalues --    3.45522   3.46663   3.55664   3.69930   3.79843
 Alpha virt. eigenvalues --    3.95126
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.940103   0.228726   0.423335  -0.113374  -0.254209   0.011402
     2  S    0.228726  15.770399  -0.089412   0.015633  -0.067746   0.007181
     3  C    0.423335  -0.089412   6.152285   0.068525  -0.933373   0.050600
     4  N   -0.113374   0.015633   0.068525   6.704695  -0.015824  -0.007407
     5  C   -0.254209  -0.067746  -0.933373  -0.015824   6.835809   0.171186
     6  O    0.011402   0.007181   0.050600  -0.007407   0.171186   8.347105
     7  O   -0.021378   0.005074   0.270461  -0.067867  -0.297720  -0.070406
     8  H   -0.077720  -0.030068  -0.239632  -0.025054  -0.128174   0.013531
     9  H    0.222486  -0.193561  -0.113261  -0.106188   0.028211   0.015598
    10  H   -0.040750  -0.112942   0.202440   0.026953  -0.095050  -0.025329
    11  H    0.004908  -0.005309  -0.182762   0.096853   0.021975   0.010960
    12  H    0.010718  -0.012330   0.079763   0.275151  -0.023499   0.001073
    13  H   -0.109772  -0.006023  -0.127860   0.418008   0.048994   0.001573
    14  H    0.008850   0.197325   0.025512  -0.000024   0.002967   0.000891
               7          8          9         10         11         12
     1  C   -0.021378  -0.077720   0.222486  -0.040750   0.004908   0.010718
     2  S    0.005074  -0.030068  -0.193561  -0.112942  -0.005309  -0.012330
     3  C    0.270461  -0.239632  -0.113261   0.202440  -0.182762   0.079763
     4  N   -0.067867  -0.025054  -0.106188   0.026953   0.096853   0.275151
     5  C   -0.297720  -0.128174   0.028211  -0.095050   0.021975  -0.023499
     6  O   -0.070406   0.013531   0.015598  -0.025329   0.010960   0.001073
     7  O    8.353874   0.014592  -0.006588   0.005341   0.221173   0.004459
     8  H    0.014592   1.830114   0.111019  -0.063312  -0.004092  -0.105496
     9  H   -0.006588   0.111019   1.751803  -0.318624   0.000806  -0.000419
    10  H    0.005341  -0.063312  -0.318624   1.909726  -0.000744  -0.000993
    11  H    0.221173  -0.004092   0.000806  -0.000744   0.666202  -0.002280
    12  H    0.004459  -0.105496  -0.000419  -0.000993  -0.002280   0.933400
    13  H   -0.003348   0.035941   0.006182   0.007769  -0.008118  -0.163955
    14  H    0.000260  -0.000866  -0.035258  -0.061714   0.000233  -0.000970
              13         14
     1  C   -0.109772   0.008850
     2  S   -0.006023   0.197325
     3  C   -0.127860   0.025512
     4  N    0.418008  -0.000024
     5  C    0.048994   0.002967
     6  O    0.001573   0.000891
     7  O   -0.003348   0.000260
     8  H    0.035941  -0.000866
     9  H    0.006182  -0.035258
    10  H    0.007769  -0.061714
    11  H   -0.008118   0.000233
    12  H   -0.163955  -0.000970
    13  H    0.900740  -0.002676
    14  H   -0.002676   0.901414
 Mulliken charges:
               1
     1  C    0.766673
     2  S    0.293053
     3  C    0.413377
     4  N   -0.270081
     5  C    0.706452
     6  O   -0.527958
     7  O   -0.407926
     8  H   -0.330783
     9  H   -0.362207
    10  H   -0.432771
    11  H    0.180194
    12  H    0.005376
    13  H    0.002545
    14  H   -0.035943
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.028305
     2  S    0.257109
     3  C    0.082594
     4  N   -0.262160
     5  C    0.706452
     6  O   -0.527958
     7  O   -0.227732
 Electronic spatial extent (au):  <R**2>=           1123.7636
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.0352    Y=              2.4530    Z=              0.4818  Tot=              3.9322
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -60.6835   YY=            -49.7383   ZZ=            -47.9072
   XY=             -6.8780   XZ=              1.8125   YZ=             -1.2279
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.9071   YY=              3.0380   ZZ=              4.8691
   XY=             -6.8780   XZ=              1.8125   YZ=             -1.2279
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             17.6877  YYY=             14.0409  ZZZ=              1.9190  XYY=              9.0315
  XXY=              0.5314  XXZ=              2.4629  XZZ=             -7.4827  YZZ=              2.8225
  YYZ=              1.0909  XYZ=             -3.2563
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1102.5617 YYYY=           -305.8021 ZZZZ=            -83.0441 XXXY=            -48.1541
 XXXZ=             13.3083 YYYX=            -16.6027 YYYZ=             -2.2474 ZZZX=              3.6168
 ZZZY=              0.6206 XXYY=           -231.6835 XXZZ=           -200.5908 YYZZ=            -61.4509
 XXYZ=             -9.8262 YYXZ=             -1.1917 ZZXY=              1.5857
 N-N= 3.752871665230D+02 E-N=-2.454598050162D+03  KE= 7.191540771340D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 19:42:05 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.21607776D+00 9.86678596D-01 1.93886885D-01
 Polarizability= 8.45435484D+01-5.18949529D-01 6.92905829D+01
                -1.26238138D+00-1.20960886D+00 5.15915402D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.5417    0.5422       -0.3030   -0.3045
 2     -0.5417   -0.5422       -0.1419   -0.1416       -8.2773   -8.2768
 3      0.3030    0.3045       16.6642   16.6635        0.1418    0.1416
 4      0.1419    0.1416        0.0000    0.0000        0.3054    0.3045
 5     -8.3869   -8.3866       -0.3054   -0.3045        0.5424    0.5422
 6     -0.1418   -0.1416       -0.5424   -0.5422        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.6267   -1.6267       -0.9135   -0.9135
 2      0.4249    0.4249        0.0000    0.0000       -0.9135   -0.9135
 3      0.4249    0.4249       -1.6267   -1.6267        0.0000    0.0000
 4     -1.6267   -1.6267       -0.4249   -0.4249      -24.8305  -24.8305
 5      0.9135    0.9135       49.9904   49.9904        0.4249    0.4249
 6    -25.1598  -25.1598       -0.9135   -0.9135        1.6267    1.6267
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0129    0.0000       -2.1483   -2.1690        1.2593    1.2180
 2      2.2074    2.1690        0.6327    0.5666       33.2047   33.1074
 3     -1.2020   -1.2180      -66.6289  -66.6538       -0.6075   -0.5666
 4     -0.5436   -0.5666        0.0165    0.0000       -1.2698   -1.2180
 5     33.6315   33.5464        1.2605    1.2180       -2.1876   -2.1690
 6      0.6144    0.5666        2.1437    2.1690        0.0282    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0081    0.0000        4.8578    4.8508       -1.1859   -1.1750
 2     -4.8993   -4.8508       23.4348   23.3177        1.6732    1.7425
 3      1.1031    1.1750        2.4633    2.5545      -23.3738  -23.3177
 4    -23.1732  -23.3177        0.0497    0.0000        1.1247    1.1750
 5     -4.0161   -4.2970       -1.3319   -1.1750        5.0953    4.8508
 6     23.1444   23.3177       -4.9248   -4.8508        0.0391    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -15.9902  -15.9870       10.9036   10.9460        3.1914    3.2002
 2    -50.8342  -51.0782       11.6036   11.5448        3.1085    3.2002
 3    -50.8474  -51.0782       10.9872   10.9460        2.6681    2.7370
 4     -0.6116   -0.5988       35.1509   35.0912        2.5524    2.5930
 5     -0.4505   -0.4632       11.6669   11.7181      -35.1608  -35.0912
 6    -13.8874  -14.3111        0.1980    0.4632        1.0264    0.5988
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.6402   -1.7210   -0.0022    0.0019    0.0022    2.8376
 Low frequencies ---   57.7823   85.9710  149.5115
 Diagonal vibrational polarizability:
       30.3231678      35.5794663      59.7040582
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     57.7814                85.9707               149.5113
 Red. masses --      4.0156                 3.4105                 1.1495
 Frc consts  --      0.0079                 0.0149                 0.0151
 IR Inten    --      1.3810                15.1257                11.7826
 RamAct Fr= 1--      0.4042                 0.1769                 0.8933
  Dep-P Fr= 1--      0.7458                 0.7337                 0.5451
  Dep-U Fr= 1--      0.8544                 0.8464                 0.7056
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0035
 Beta2  Fr= 1--      0.0576                 0.0249                 0.1050
 AlphaG Fr= 1--     -0.0007                -0.0000                -0.0092
 Gamma2 Fr= 1--      0.1512                 0.1817                -0.0169
 Delta2 Fr= 1--      0.0849                 0.0857                -0.0289
 Raman1 Fr= 1--       1.617                  0.707                  3.573
 ROA1   Fr= 1--      17.229                 20.187                 -2.548
 CID1   Fr= 1--      10.656                 28.534                 -0.713
 Raman2 Fr= 1--       0.691                  0.299                  1.261
 ROA2   Fr= 1--       2.950                  3.676                 -0.174
 CID2   Fr= 1--       4.271                 12.278                 -0.138
 Raman3 Fr= 1--       1.381                  0.599                  2.521
 ROA3   Fr= 1--      17.229                 20.187                 -2.548
 CID3   Fr= 1--      12.472                 33.713                 -1.011
 RC180  Fr= 1--       0.709                  0.693                  0.411
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04   0.04     0.00   0.15   0.21     0.01  -0.05  -0.05
     2  16    -0.01  -0.00   0.06     0.01  -0.12  -0.11    -0.01   0.01  -0.02
     3   6    -0.01  -0.02  -0.09     0.01   0.08   0.10     0.00  -0.02  -0.01
     4   7     0.01   0.01  -0.21    -0.10   0.09   0.07     0.02  -0.03   0.03
     5   6    -0.00  -0.01  -0.02     0.02  -0.00  -0.02    -0.00  -0.00   0.00
     6   8    -0.04  -0.00  -0.21     0.08  -0.01  -0.10    -0.02   0.00   0.03
     7   8     0.07  -0.02   0.31    -0.04  -0.06  -0.04     0.02   0.02  -0.01
     8   1     0.01  -0.15  -0.07     0.10   0.05   0.11    -0.03   0.02  -0.02
     9   1    -0.07   0.15   0.04     0.11   0.43   0.22     0.01  -0.08  -0.05
    10   1    -0.02   0.01   0.14    -0.13   0.08   0.46     0.01  -0.04  -0.09
    11   1     0.09  -0.03   0.31    -0.08  -0.03   0.02     0.04   0.01  -0.00
    12   1    -0.24   0.01  -0.45    -0.14   0.12   0.05     0.03  -0.02   0.05
    13   1     0.31   0.12  -0.33    -0.09   0.13   0.06     0.04  -0.08   0.03
    14   1    -0.03   0.12   0.34    -0.01   0.15   0.49     0.08   0.49   0.84
                      4                      5                      6
                      A                      A                      A
 Frequencies --    173.0811               255.6427               282.7212
 Red. masses --      4.7350                10.9084                 1.1649
 Frc consts  --      0.0836                 0.4200                 0.0549
 IR Inten    --     12.4254                 2.8117                17.9164
 RamAct Fr= 1--      0.3811                 2.3397                 0.0850
  Dep-P Fr= 1--      0.7498                 0.2539                 0.6717
  Dep-U Fr= 1--      0.8570                 0.4049                 0.8036
 Alpha2 Fr= 1--      0.0000                 0.0274                 0.0001
 Beta2  Fr= 1--      0.0544                 0.1579                 0.0114
 AlphaG Fr= 1--      0.0000                -0.0018                 0.0019
 Gamma2 Fr= 1--     -0.5167                 0.0859                -0.0980
 Delta2 Fr= 1--     -0.1709                 0.0078                -0.0213
 Raman1 Fr= 1--       1.524                  9.359                  0.340
 ROA1   Fr= 1--     -55.073                  8.496                -10.095
 CID1   Fr= 1--     -36.132                  0.908                -29.699
 Raman2 Fr= 1--       0.653                  1.895                  0.137
 ROA2   Fr= 1--     -11.034                  1.999                 -2.182
 CID2   Fr= 1--     -16.894                  1.055                -15.978
 Raman3 Fr= 1--       1.306                  3.790                  0.273
 ROA3   Fr= 1--     -55.073                  8.496                -10.095
 CID3   Fr= 1--     -42.160                  2.242                -36.957
 RC180  Fr= 1--       0.714                 -0.190                  0.607
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.05   0.25     0.18   0.11  -0.07    -0.00  -0.00  -0.02
     2  16    -0.06   0.13  -0.08     0.40  -0.01   0.02     0.01  -0.00   0.00
     3   6     0.05  -0.17   0.15    -0.07  -0.06   0.02    -0.01   0.01   0.02
     4   7     0.12  -0.14   0.04    -0.28  -0.05   0.01     0.03   0.01   0.06
     5   6    -0.03  -0.04   0.01    -0.19  -0.06   0.04    -0.01  -0.01   0.01
     6   8    -0.19  -0.00  -0.12    -0.41  -0.01  -0.02     0.00  -0.01   0.02
     7   8     0.07   0.09  -0.08    -0.08   0.07  -0.00    -0.02  -0.01  -0.06
     8   1     0.13  -0.27   0.16    -0.17  -0.03   0.00    -0.04   0.01   0.02
     9   1     0.18   0.13   0.26     0.26   0.12  -0.07     0.00  -0.05  -0.02
    10   1     0.14  -0.12   0.42     0.27   0.08  -0.02    -0.02   0.01  -0.06
    11   1     0.20   0.02   0.00     0.05   0.01   0.00     0.03  -0.03   0.17
    12   1     0.08  -0.20  -0.06    -0.35   0.04   0.02    -0.55   0.15  -0.36
    13   1     0.20  -0.07  -0.00    -0.32   0.00   0.02     0.67   0.06  -0.19
    14   1     0.19   0.18  -0.31     0.12  -0.14   0.12    -0.02  -0.03  -0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    352.0664               412.0506               525.2360
 Red. masses --      3.9563                 2.5607                 6.4353
 Frc consts  --      0.2889                 0.2562                 1.0460
 IR Inten    --     15.8941                 4.5872                 1.3518
 RamAct Fr= 1--      2.3623                 0.2698                 2.2817
  Dep-P Fr= 1--      0.1578                 0.6560                 0.7456
  Dep-U Fr= 1--      0.2726                 0.7923                 0.8542
 Alpha2 Fr= 1--      0.0358                 0.0005                 0.0002
 Beta2  Fr= 1--      0.1073                 0.0356                 0.3248
 AlphaG Fr= 1--      0.0363                -0.0015                -0.0035
 Gamma2 Fr= 1--     -0.1907                -0.4754                 0.6859
 Delta2 Fr= 1--     -0.2031                -0.1171                 0.3127
 Raman1 Fr= 1--       9.449                  1.079                  9.127
 ROA1   Fr= 1--     -24.804                -49.383                 75.851
 CID1   Fr= 1--      -2.625                -45.755                  8.311
 Raman2 Fr= 1--       1.288                  0.428                  3.898
 ROA2   Fr= 1--      -2.951                -10.473                 13.959
 CID2   Fr= 1--      -2.291                -24.495                  3.581
 Raman3 Fr= 1--       2.576                  0.855                  7.796
 ROA3   Fr= 1--     -24.804                -49.383                 75.851
 CID3   Fr= 1--      -9.628                -57.752                  9.729
 RC180  Fr= 1--      -0.455                  0.585                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.05  -0.00     0.06  -0.16  -0.00     0.00  -0.13   0.08
     2  16    -0.06  -0.01   0.01    -0.02  -0.01  -0.00     0.06   0.02  -0.01
     3   6     0.03  -0.03  -0.13     0.02  -0.01   0.19    -0.06  -0.17  -0.08
     4   7    -0.24  -0.06   0.09    -0.15   0.09  -0.09    -0.16  -0.29   0.00
     5   6     0.07  -0.04  -0.09     0.04   0.02   0.10    -0.04   0.22  -0.04
     6   8    -0.01  -0.04   0.07     0.04   0.02  -0.06     0.30   0.17  -0.02
     7   8     0.29   0.11  -0.00     0.05   0.05  -0.03    -0.19   0.14   0.05
     8   1     0.15   0.08  -0.11    -0.02  -0.08   0.19    -0.00  -0.26  -0.07
     9   1    -0.12   0.17  -0.01     0.15  -0.55   0.01     0.01   0.08   0.08
    10   1    -0.05   0.02   0.11     0.00  -0.03  -0.38     0.14  -0.20   0.27
    11   1     0.56  -0.01   0.02     0.09   0.03  -0.08    -0.17   0.14   0.14
    12   1    -0.50   0.23   0.09    -0.20   0.01  -0.21    -0.38  -0.07  -0.01
    13   1    -0.14  -0.13   0.06    -0.25   0.41  -0.10    -0.02  -0.36  -0.04
    14   1    -0.06  -0.08  -0.12     0.13   0.08  -0.02     0.14   0.06  -0.05
                     10                     11                     12
                      A                      A                      A
 Frequencies --    593.1435               698.1010               777.8703
 Red. masses --      3.5336                 5.8894                 5.3775
 Frc consts  --      0.7325                 1.6911                 1.9171
 IR Inten    --      9.3442                 8.2706                 2.3601
 RamAct Fr= 1--      2.1611                15.1213                 2.9391
  Dep-P Fr= 1--      0.1952                 0.1370                 0.5134
  Dep-U Fr= 1--      0.3266                 0.2410                 0.6785
 Alpha2 Fr= 1--      0.0297                 0.2416                 0.0136
 Beta2  Fr= 1--      0.1177                 0.6073                 0.3324
 AlphaG Fr= 1--      0.0200                 0.1067                 0.0143
 Gamma2 Fr= 1--      0.2166                 0.8022                -1.0449
 Delta2 Fr= 1--      0.2398                -0.0070                -0.0017
 Raman1 Fr= 1--       8.645                 60.485                 11.756
 ROA1   Fr= 1--      28.470                 76.784               -100.369
 CID1   Fr= 1--       3.293                  1.269                 -8.537
 Raman2 Fr= 1--       1.412                  7.287                  3.988
 ROA2   Fr= 1--       3.281                 19.308                -25.065
 CID2   Fr= 1--       2.324                  2.650                 -6.284
 Raman3 Fr= 1--       2.824                 14.575                  7.977
 ROA3   Fr= 1--      28.470                 76.784               -100.369
 CID3   Fr= 1--      10.083                  5.268                -12.583
 RC180  Fr= 1--      -0.347                 -0.518                  0.357
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.14  -0.10     0.29   0.17  -0.15     0.34   0.13  -0.05
     2  16     0.02   0.00   0.01    -0.13  -0.05   0.04    -0.10  -0.04   0.03
     3   6    -0.20  -0.04   0.09     0.14  -0.03  -0.05     0.07  -0.01   0.03
     4   7     0.04  -0.05  -0.01    -0.04  -0.14  -0.02     0.06   0.01  -0.00
     5   6    -0.05  -0.06   0.23     0.20   0.07   0.27    -0.23  -0.07  -0.18
     6   8     0.12  -0.10  -0.10    -0.10   0.17  -0.06     0.09  -0.17   0.03
     7   8     0.07   0.13  -0.06    -0.04  -0.12  -0.07    -0.13   0.20   0.07
     8   1    -0.56  -0.09   0.04    -0.22  -0.07  -0.10     0.25   0.06   0.05
     9   1    -0.03   0.21  -0.09     0.20   0.33  -0.16     0.38  -0.09  -0.04
    10   1    -0.03   0.10   0.01     0.26   0.10   0.07     0.43   0.15  -0.17
    11   1     0.32   0.01  -0.04    -0.32   0.01   0.09     0.25   0.02  -0.05
    12   1     0.26  -0.28  -0.00    -0.22   0.11   0.05    -0.08   0.11  -0.02
    13   1     0.05  -0.11  -0.00    -0.13  -0.14   0.01    -0.13   0.16   0.04
    14   1    -0.32  -0.16   0.12    -0.28  -0.12   0.07    -0.24  -0.11   0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    806.1996               851.9188               876.0685
 Red. masses --      1.8396                 1.3893                 1.2895
 Frc consts  --      0.7045                 0.5941                 0.5831
 IR Inten    --      9.3223               127.9718                73.0842
 RamAct Fr= 1--      9.3228                 5.3581                 3.8974
  Dep-P Fr= 1--      0.1023                 0.1829                 0.4511
  Dep-U Fr= 1--      0.1857                 0.3092                 0.6217
 Alpha2 Fr= 1--      0.1623                 0.0761                 0.0238
 Beta2  Fr= 1--      0.2885                 0.2761                 0.4038
 AlphaG Fr= 1--     -0.0461                 0.1043                -0.0560
 Gamma2 Fr= 1--      0.5496                -1.1583                 0.8891
 Delta2 Fr= 1--      0.6081                -0.1133                 0.0243
 Raman1 Fr= 1--      37.291                 21.433                 15.590
 ROA1   Fr= 1--      72.219               -114.818                 86.130
 CID1   Fr= 1--       1.937                 -5.357                  5.525
 Raman2 Fr= 1--       3.462                  3.314                  4.846
 ROA2   Fr= 1--       8.325                -26.892                 21.144
 CID2   Fr= 1--       2.405                 -8.116                  4.363
 Raman3 Fr= 1--       6.924                  6.627                  9.692
 ROA3   Fr= 1--      72.219               -114.818                 86.130
 CID3   Fr= 1--      10.430                -17.325                  8.887
 RC180  Fr= 1--      -0.629                 -0.382                  0.243
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.11  -0.02     0.06   0.01   0.01    -0.06   0.02   0.03
     2  16    -0.01  -0.02   0.02    -0.01  -0.01   0.00     0.01   0.01  -0.01
     3   6     0.02   0.02  -0.12    -0.06  -0.04   0.00     0.06   0.03  -0.01
     4   7    -0.01   0.11   0.01    -0.08   0.08  -0.01     0.05  -0.05  -0.05
     5   6    -0.04  -0.04   0.12     0.02   0.02  -0.06    -0.01  -0.01   0.04
     6   8     0.01  -0.06  -0.03     0.00   0.03   0.02    -0.00  -0.02   0.00
     7   8    -0.04   0.05  -0.02     0.02  -0.02  -0.03    -0.03   0.02  -0.04
     8   1    -0.18   0.08  -0.14    -0.05  -0.07   0.01     0.09  -0.03  -0.00
     9   1    -0.02   0.32  -0.03     0.08  -0.08   0.02    -0.11  -0.14   0.03
    10   1    -0.06  -0.22   0.35     0.13   0.02  -0.04    -0.07   0.08  -0.15
    11   1     0.10  -0.01   0.13     0.03  -0.03   0.65     0.18  -0.08   0.80
    12   1     0.03   0.18   0.11     0.44  -0.35   0.07    -0.11   0.24   0.08
    13   1     0.01  -0.05   0.03     0.33  -0.26  -0.10    -0.36   0.06   0.08
    14   1     0.63   0.28  -0.22     0.01  -0.00  -0.02    -0.04  -0.01   0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    911.5309               943.0372              1024.1978
 Red. masses --      1.4948                 1.6761                 1.9355
 Frc consts  --      0.7317                 0.8782                 1.1962
 IR Inten    --     38.1314                 7.3403                46.8308
 RamAct Fr= 1--      2.0215                 5.7457                 2.2559
  Dep-P Fr= 1--      0.5822                 0.3729                 0.7500
  Dep-U Fr= 1--      0.7359                 0.5433                 0.8571
 Alpha2 Fr= 1--      0.0064                 0.0468                 0.0000
 Beta2  Fr= 1--      0.2479                 0.5203                 0.3223
 AlphaG Fr= 1--     -0.0042                 0.0120                -0.0002
 Gamma2 Fr= 1--      0.2913                -2.0524                 0.9775
 Delta2 Fr= 1--     -0.1346                -1.3084                 0.6273
 Raman1 Fr= 1--       8.086                 22.983                  9.024
 ROA1   Fr= 1--      23.654               -238.894                113.912
 CID1   Fr= 1--       2.925                -10.395                 12.624
 Raman2 Fr= 1--       2.975                  6.243                  3.867
 ROA2   Fr= 1--       8.067                -38.790                 18.442
 CID2   Fr= 1--       2.711                 -6.213                  4.769
 Raman3 Fr= 1--       5.950                 12.486                  7.734
 ROA3   Fr= 1--      23.654               -238.894                113.912
 CID3   Fr= 1--       3.975                -19.133                 14.728
 RC180  Fr= 1--       0.472                  0.087                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.09  -0.10     0.01   0.10  -0.04    -0.07   0.01  -0.10
     2  16     0.00   0.02   0.01    -0.01  -0.03   0.02     0.00   0.01   0.01
     3   6    -0.05  -0.02   0.08    -0.07   0.07   0.09     0.19   0.01   0.07
     4   7     0.04   0.01   0.00     0.02  -0.12  -0.02    -0.08  -0.04  -0.01
     5   6     0.00   0.02  -0.09    -0.00   0.01  -0.08     0.02  -0.03   0.02
     6   8     0.00   0.03   0.02    -0.00   0.02   0.02    -0.00  -0.04  -0.00
     7   8     0.03  -0.03  -0.00     0.03  -0.02   0.00    -0.06   0.06   0.01
     8   1    -0.16   0.14   0.06    -0.14   0.12   0.07     0.39   0.06   0.09
     9   1     0.25   0.45  -0.09    -0.00   0.02  -0.04     0.16   0.27  -0.08
    10   1    -0.08  -0.26   0.42    -0.18   0.15  -0.11    -0.61   0.01   0.08
    11   1     0.04  -0.03   0.29     0.00  -0.01   0.06    -0.03   0.04   0.04
    12   1    -0.10   0.01  -0.11    -0.04  -0.19  -0.12     0.23  -0.39  -0.05
    13   1    -0.26   0.37   0.06    -0.09   0.09  -0.01     0.24  -0.05  -0.11
    14   1    -0.24  -0.11   0.06     0.77   0.36  -0.23    -0.03  -0.01  -0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1111.7582              1139.1796              1214.3528
 Red. masses --      1.1701                 2.7953                 2.5513
 Frc consts  --      0.8521                 2.1373                 2.2166
 IR Inten    --     14.8355                 6.5277                20.8791
 RamAct Fr= 1--      1.7216                 1.3900                 7.6132
  Dep-P Fr= 1--      0.4722                 0.6804                 0.3851
  Dep-U Fr= 1--      0.6415                 0.8098                 0.5561
 Alpha2 Fr= 1--      0.0096                 0.0017                 0.0594
 Beta2  Fr= 1--      0.1841                 0.1876                 0.7056
 AlphaG Fr= 1--     -0.0414                -0.0115                 0.0300
 Gamma2 Fr= 1--      0.3706                 0.4310                -0.8072
 Delta2 Fr= 1--      0.1625                 0.1018                -0.1744
 Raman1 Fr= 1--       6.886                  5.560                 30.453
 ROA1   Fr= 1--      40.777                 44.633                -83.069
 CID1   Fr= 1--       5.921                  8.028                 -2.728
 Raman2 Fr= 1--       2.209                  2.251                  8.467
 ROA2   Fr= 1--       7.594                  9.529                -17.977
 CID2   Fr= 1--       3.438                  4.233                 -2.123
 Raman3 Fr= 1--       4.417                  4.502                 16.935
 ROA3   Fr= 1--      40.777                 44.633                -83.069
 CID3   Fr= 1--       9.231                  9.913                 -4.905
 RC180  Fr= 1--       0.283                  0.620                  0.112
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02   0.01     0.08  -0.12   0.11    -0.01   0.01  -0.01
     2  16    -0.00   0.01   0.01     0.00   0.01  -0.01     0.00  -0.00   0.00
     3   6    -0.05   0.07   0.01    -0.05   0.30  -0.04    -0.05  -0.03   0.05
     4   7     0.01  -0.01  -0.04    -0.03  -0.13  -0.04     0.02   0.03  -0.01
     5   6    -0.04   0.02  -0.00     0.06  -0.04   0.02     0.27  -0.09  -0.10
     6   8     0.00   0.01   0.00    -0.02  -0.05  -0.00    -0.04  -0.09   0.01
     7   8     0.03  -0.03  -0.00     0.00   0.04  -0.00    -0.06   0.14   0.03
     8   1     0.01  -0.31   0.03    -0.19   0.67  -0.08    -0.37  -0.35   0.01
     9   1     0.57  -0.06   0.07     0.04  -0.09   0.11    -0.06  -0.01  -0.01
    10   1    -0.45   0.04  -0.01     0.11  -0.12   0.10    -0.06   0.01  -0.01
    11   1     0.05  -0.03  -0.06    -0.10   0.07   0.05    -0.58   0.34   0.12
    12   1    -0.06   0.32   0.18     0.06  -0.33  -0.12    -0.14   0.28   0.08
    13   1     0.04  -0.44   0.00     0.10  -0.12  -0.10    -0.06  -0.16   0.04
    14   1    -0.05  -0.03   0.00    -0.30  -0.14   0.07     0.05   0.02  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1242.4700              1271.9565              1328.5862
 Red. masses --      1.3809                 1.4376                 1.3373
 Frc consts  --      1.2560                 1.3703                 1.3908
 IR Inten    --     11.3452                 1.5058                 6.4046
 RamAct Fr= 1--      4.7583                 1.3730                 4.3842
  Dep-P Fr= 1--      0.3602                 0.6778                 0.5343
  Dep-U Fr= 1--      0.5296                 0.8080                 0.6964
 Alpha2 Fr= 1--      0.0404                 0.0017                 0.0183
 Beta2  Fr= 1--      0.4200                 0.1849                 0.5089
 AlphaG Fr= 1--     -0.0011                -0.0237                 0.0050
 Gamma2 Fr= 1--      0.2160                -0.7511                -0.9222
 Delta2 Fr= 1--     -1.3231                -0.1995                 0.4814
 Raman1 Fr= 1--      19.033                  5.492                 17.537
 ROA1   Fr= 1--     -21.603                -78.491                -73.127
 CID1   Fr= 1--      -1.135                -14.292                 -4.170
 Raman2 Fr= 1--       5.040                  2.219                  6.107
 ROA2   Fr= 1--      15.769                -16.431                -25.985
 CID2   Fr= 1--       3.129                 -7.406                 -4.255
 Raman3 Fr= 1--      10.080                  4.438                 12.213
 ROA3   Fr= 1--     -21.603                -78.491                -73.127
 CID3   Fr= 1--      -2.143                -17.688                 -5.987
 RC180  Fr= 1--       0.059                  0.616                  0.393
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.02  -0.01    -0.10  -0.01  -0.07     0.10  -0.02  -0.03
     2  16    -0.00  -0.01   0.01    -0.00  -0.01   0.00     0.00   0.00  -0.00
     3   6    -0.11  -0.01  -0.09     0.04   0.09   0.10    -0.12   0.02   0.04
     4   7     0.02   0.00   0.04    -0.02  -0.01  -0.05     0.01   0.00  -0.02
     5   6     0.06  -0.02   0.06    -0.02  -0.00  -0.00     0.00   0.00   0.03
     6   8    -0.01  -0.01  -0.01    -0.00  -0.01   0.00    -0.00  -0.01  -0.00
     7   8    -0.00   0.02  -0.01     0.01  -0.00   0.00     0.02   0.00  -0.01
     8   1     0.62   0.04   0.01     0.19  -0.13   0.14     0.66  -0.08   0.15
     9   1     0.60  -0.05   0.06     0.04   0.17  -0.06    -0.61   0.08  -0.11
    10   1     0.21  -0.00  -0.04     0.78  -0.16   0.13    -0.21  -0.04   0.11
    11   1    -0.15   0.09   0.07     0.00  -0.00  -0.01    -0.11   0.06   0.03
    12   1    -0.02  -0.16  -0.13    -0.01   0.20   0.14    -0.04   0.09   0.02
    13   1    -0.09   0.25   0.04     0.10  -0.35  -0.05    -0.01  -0.14   0.01
    14   1     0.10   0.05  -0.02     0.09   0.04  -0.03    -0.04  -0.02   0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1401.3420              1412.5217              1489.0418
 Red. masses --      1.2910                 1.5873                 1.0926
 Frc consts  --      1.4937                 1.8659                 1.4273
 IR Inten    --     11.2049               452.1087                 4.5039
 RamAct Fr= 1--      3.6202                 6.2981                 4.6535
  Dep-P Fr= 1--      0.7020                 0.1089                 0.7246
  Dep-U Fr= 1--      0.8249                 0.1963                 0.8403
 Alpha2 Fr= 1--      0.0030                 0.1079                 0.0020
 Beta2  Fr= 1--      0.4977                 0.2061                 0.6517
 AlphaG Fr= 1--     -0.0139                -0.0302                 0.0124
 Gamma2 Fr= 1--      1.3028                 0.4030                 0.0937
 Delta2 Fr= 1--     -0.7611                 0.1406                -0.3785
 Raman1 Fr= 1--      14.481                 25.193                 18.614
 ROA1   Fr= 1--     100.712                 43.183                 -3.115
 CID1   Fr= 1--       6.955                  1.714                 -0.167
 Raman2 Fr= 1--       5.973                  2.473                  7.821
 ROA2   Fr= 1--      37.355                  8.546                  5.277
 CID2   Fr= 1--       6.254                  3.456                  0.675
 Raman3 Fr= 1--      11.945                  4.946                 15.641
 ROA3   Fr= 1--     100.712                 43.183                 -3.115
 CID3   Fr= 1--       8.431                  8.730                 -0.199
 RC180  Fr= 1--       0.650                 -0.607                  0.681
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03   0.00     0.01  -0.00  -0.00     0.01  -0.07   0.05
     2  16     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.02  -0.13   0.05    -0.05   0.02   0.01    -0.02  -0.01   0.01
     4   7     0.01   0.02  -0.06     0.01   0.01   0.00     0.00   0.00  -0.01
     5   6     0.02  -0.01   0.01     0.14  -0.06  -0.02     0.01  -0.00  -0.00
     6   8     0.00   0.01  -0.00    -0.02   0.06   0.00    -0.00   0.00   0.00
     7   8    -0.01   0.00   0.00    -0.12   0.01   0.02    -0.00   0.00  -0.00
     8   1     0.07   0.86   0.02     0.07  -0.07   0.03     0.02   0.06   0.01
     9   1     0.09  -0.11   0.02    -0.02  -0.01  -0.01     0.02   0.69   0.01
    10   1    -0.06   0.02   0.03     0.01  -0.02   0.03     0.05   0.19  -0.68
    11   1    -0.01   0.01  -0.01     0.84  -0.45  -0.17     0.01  -0.01  -0.00
    12   1    -0.04   0.30   0.13     0.01  -0.03  -0.03    -0.00   0.04   0.03
    13   1     0.06  -0.29  -0.04    -0.01  -0.07   0.02     0.02  -0.02  -0.01
    14   1     0.03   0.01  -0.01     0.00   0.00  -0.00    -0.01  -0.01  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1662.3646              1837.3809              2682.8719
 Red. masses --      1.0916                 9.8527                 1.0386
 Frc consts  --      1.7774                19.5976                 4.4045
 IR Inten    --     33.4040               308.1747                 1.3783
 RamAct Fr= 1--      3.1613                14.1758               197.8352
  Dep-P Fr= 1--      0.6896                 0.3890                 0.2360
  Dep-U Fr= 1--      0.8163                 0.5601                 0.3819
 Alpha2 Fr= 1--      0.0033                 0.1092                 2.4375
 Beta2  Fr= 1--      0.4301                 1.3234                12.5924
 AlphaG Fr= 1--      0.0111                 0.1249                -0.3646
 Gamma2 Fr= 1--      0.0867                 1.1094                 4.3076
 Delta2 Fr= 1--      0.0497                 0.6257                 0.4368
 Raman1 Fr= 1--      12.645                 56.703                791.341
 ROA1   Fr= 1--       9.911                126.521                427.509
 CID1   Fr= 1--       0.784                  2.231                  0.540
 Raman2 Fr= 1--       5.161                 15.881                151.109
 ROA2   Fr= 1--       1.683                 21.619                 99.888
 CID2   Fr= 1--       0.326                  1.361                  0.661
 Raman3 Fr= 1--      10.322                 31.761                302.218
 ROA3   Fr= 1--       9.911                126.521                427.509
 CID3   Fr= 1--       0.960                  3.983                  1.415
 RC180  Fr= 1--       0.633                  0.120                 -0.236
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.00   0.00   0.00
     2  16     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.02  -0.02   0.01
     3   6    -0.03   0.01  -0.00    -0.02  -0.03   0.00     0.00  -0.00  -0.00
     4   7    -0.03  -0.07  -0.02    -0.00  -0.01   0.00     0.00   0.00   0.00
     5   6     0.01  -0.00  -0.00     0.16   0.71   0.01    -0.00  -0.00  -0.00
     6   8    -0.00   0.00   0.00    -0.10  -0.43  -0.01     0.00   0.00  -0.00
     7   8    -0.00   0.00   0.00    -0.04  -0.06   0.00     0.00   0.00   0.00
     8   1     0.02  -0.03   0.00     0.01   0.03  -0.00    -0.00   0.00   0.00
     9   1    -0.00  -0.02  -0.00     0.03  -0.00  -0.01    -0.00   0.00   0.00
    10   1    -0.01  -0.00   0.02     0.04   0.01   0.01    -0.00  -0.01  -0.00
    11   1     0.02  -0.01  -0.02     0.47  -0.19  -0.10    -0.00   0.00   0.00
    12   1     0.25   0.34   0.56     0.01  -0.03   0.00    -0.00   0.00  -0.00
    13   1     0.36   0.57  -0.22    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.00  -0.00  -0.00     0.02   0.02  -0.01    -0.51   0.78  -0.37
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3042.6182              3058.3968              3141.1679
 Red. masses --      1.0782                 1.0709                 1.0987
 Frc consts  --      5.8808                 5.9020                 6.3870
 IR Inten    --      6.0245                13.8941                 0.9523
 RamAct Fr= 1--    156.0480                21.9714                53.0243
  Dep-P Fr= 1--      0.1178                 0.1381                 0.3949
  Dep-U Fr= 1--      0.2108                 0.2427                 0.5662
 Alpha2 Fr= 1--      2.6150                 0.3500                 0.4000
 Beta2  Fr= 1--      5.4821                 0.8889                 5.0035
 AlphaG Fr= 1--     -0.8691                 0.1813                -0.7711
 Gamma2 Fr= 1--     12.4526                -5.1186                -5.0505
 Delta2 Fr= 1--      9.8602                -4.7843                -4.1620
 Raman1 Fr= 1--     624.192                 87.886                212.097
 ROA1   Fr= 1--    1510.979               -644.485               -618.035
 CID1   Fr= 1--       2.421                 -7.333                 -2.914
 Raman2 Fr= 1--      65.785                 10.667                 60.042
 ROA2   Fr= 1--     219.981                -84.573                -87.916
 CID2   Fr= 1--       3.344                 -7.929                 -1.464
 Raman3 Fr= 1--     131.570                 21.333                120.085
 ROA3   Fr= 1--    1510.979               -644.485               -618.035
 CID3   Fr= 1--      11.484                -30.210                 -5.147
 RC180  Fr= 1--      -0.578                 -0.515                  0.132
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.04     0.01   0.02  -0.06    -0.00  -0.07  -0.05
     2  16    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.01  -0.00  -0.07     0.01  -0.00  -0.04     0.00  -0.00  -0.01
     4   7     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   1    -0.12   0.04   0.82    -0.07   0.02   0.54    -0.01   0.00   0.06
     9   1     0.06  -0.02  -0.53    -0.08   0.03   0.77    -0.03  -0.00   0.31
    10   1     0.01   0.13   0.05    -0.03  -0.28  -0.11     0.09   0.89   0.30
    11   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    12   1     0.01   0.00  -0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   1    -0.01  -0.00  -0.01    -0.00   0.01  -0.01    -0.00   0.00  -0.00
    14   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3440.5261              3503.2981              3585.9142
 Red. masses --      1.0641                 1.0517                 1.0921
 Frc consts  --      7.4217                 7.6047                 8.2739
 IR Inten    --    255.8428                 1.2294                13.6635
 RamAct Fr= 1--     80.8485                80.9021                47.6332
  Dep-P Fr= 1--      0.0874                 0.0635                 0.5178
  Dep-U Fr= 1--      0.1608                 0.1195                 0.6823
 Alpha2 Fr= 1--      1.4596                 1.5473                 0.2159
 Beta2  Fr= 1--      2.1668                 1.6107                 5.4169
 AlphaG Fr= 1--      0.1404                 0.1484                -0.1892
 Gamma2 Fr= 1--      0.6919                -0.3049                 1.2571
 Delta2 Fr= 1--      1.3474                 0.0220                -1.1607
 Raman1 Fr= 1--     323.394                323.608                190.533
 ROA1   Fr= 1--     109.544                -28.568                 83.543
 CID1   Fr= 1--       0.339                 -0.088                  0.438
 Raman2 Fr= 1--      26.002                 19.328                 65.003
 ROA2   Fr= 1--       5.827                 -7.494                 39.456
 CID2   Fr= 1--       0.224                 -0.388                  0.607
 Raman3 Fr= 1--      52.004                 38.656                130.006
 ROA3   Fr= 1--     109.544                -28.568                 83.543
 CID3   Fr= 1--       2.106                 -0.739                  0.643
 RC180  Fr= 1--      -0.678                 -0.761                  0.365
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     2  16    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   7    -0.00  -0.00  -0.00    -0.04  -0.03  -0.03     0.02   0.03  -0.07
     5   6     0.00  -0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     6   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   8    -0.03  -0.05   0.00     0.00   0.01  -0.00    -0.00  -0.00   0.00
     8   1    -0.00  -0.00  -0.00    -0.00   0.00   0.01    -0.00   0.00   0.02
     9   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    11   1     0.41   0.90   0.00    -0.05  -0.10  -0.00     0.01   0.02  -0.00
    12   1     0.04   0.04  -0.05     0.27   0.28  -0.34    -0.49  -0.46   0.53
    13   1     0.03   0.01   0.08     0.27   0.09   0.80     0.19   0.06   0.47
    14   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number 16 and mass  31.97207
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  7 and mass  14.00307
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   121.01975 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   397.518271520.045171852.93697
           X            0.99975  -0.02165   0.00532
           Y            0.02170   0.99972  -0.00963
           Z           -0.00511   0.00974   0.99994
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.21789     0.05698     0.04674
 Rotational constants (GHZ):           4.54002     1.18729     0.97399
 Zero-point vibrational energy     283167.3 (Joules/Mol)
                                   67.67861 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     83.13   123.69   215.11   249.03   367.81
          (Kelvin)            406.77   506.55   592.85   755.70   853.40
                             1004.41  1119.18  1159.94  1225.72  1260.47
                             1311.49  1356.82  1473.59  1599.57  1639.03
                             1747.18  1787.64  1830.06  1911.54  2016.22
                             2032.30  2142.40  2391.77  2643.58  3860.05
                             4377.65  4400.35  4519.44  4950.15  5040.46
                             5159.33
 
 Zero-point correction=                           0.107853 (Hartree/Particle)
 Thermal correction to Energy=                    0.116112
 Thermal correction to Enthalpy=                  0.117057
 Thermal correction to Gibbs Free Energy=         0.074204
 Sum of electronic and zero-point Energies=           -722.016977
 Sum of electronic and thermal Energies=              -722.008717
 Sum of electronic and thermal Enthalpies=            -722.007773
 Sum of electronic and thermal Free Energies=         -722.050625
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   72.862             28.471             90.191
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.287
 Rotational               0.889              2.981             28.506
 Vibrational             71.084             22.510             21.398
 Vibration     1          0.596              1.974              4.532
 Vibration     2          0.601              1.959              3.750
 Vibration     3          0.618              1.903              2.678
 Vibration     4          0.627              1.876              2.402
 Vibration     5          0.666              1.753              1.691
 Vibration     6          0.682              1.706              1.517
 Vibration     7          0.729              1.571              1.157
 Vibration     8          0.776              1.444              0.919
 Vibration     9          0.880              1.194              0.598
 Vibration    10          0.951              1.046              0.462
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.738697D-34        -34.131534        -78.590761
 Total V=0       0.300078D+16         15.477235         35.637649
 Vib (Bot)       0.372688D-47        -47.428655       -109.208513
 Vib (Bot)    1  0.357476D+01          0.553247          1.273898
 Vib (Bot)    2  0.239321D+01          0.378981          0.872635
 Vib (Bot)    3  0.135640D+01          0.132388          0.304835
 Vib (Bot)    4  0.116316D+01          0.065640          0.151143
 Vib (Bot)    5  0.761394D+00         -0.118391         -0.272604
 Vib (Bot)    6  0.679059D+00         -0.168092         -0.387047
 Vib (Bot)    7  0.523343D+00         -0.281214         -0.647519
 Vib (Bot)    8  0.428710D+00         -0.367837         -0.846975
 Vib (Bot)    9  0.305838D+00         -0.514508         -1.184699
 Vib (Bot)   10  0.253516D+00         -0.595994         -1.372328
 Vib (V=0)       0.151396D+03          2.180114          5.019897
 Vib (V=0)    1  0.410956D+01          0.613795          1.413316
 Vib (V=0)    2  0.294488D+01          0.469068          1.080069
 Vib (V=0)    3  0.194562D+01          0.289059          0.665582
 Vib (V=0)    4  0.176608D+01          0.247009          0.568760
 Vib (V=0)    5  0.141089D+01          0.149493          0.344221
 Vib (V=0)    6  0.134328D+01          0.128167          0.295115
 Vib (V=0)    7  0.122380D+01          0.087711          0.201961
 Vib (V=0)    8  0.115863D+01          0.063944          0.147237
 Vib (V=0)    9  0.108612D+01          0.035878          0.082612
 Vib (V=0)   10  0.106060D+01          0.025551          0.058833
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523285D+08          7.718738         17.773052
 Rotational      0.378776D+06          5.578383         12.844701
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3  3         3  33           2                             1      1     1 11 1 111  11  1                                    
     5  5  4         1  00           6                             8      6     4 44 3 222  11  0  9988 87  6  5  5   4 3 22  11     
     8  0  4         4  54           8                             3      6     8 10 2 741  31  2  4175 07  9  9  2   1 5 85  75 85  
     6  3  1         1  83           3                             7      2     9 31 9 224  92  4  3262 68  8  3  5   2 2 36  30 68  
 
     X  X  X         X  XX           X                             X      X     X XX X XXX  XX  X  XXXX XX  X  X  X   X X XX  XX XX  
           X                                                       X              X             X   XXX                              
           X                                                       X              X                  XX                              
           X                                                       X              X                   X                              
           X                                                       X              X                   X                              
           X                                                       X              X                   X                              
           X                                                       X              X                                                  
           X                                                       X              X                                                  
           X                                                       X              X                                                  
           X                                                       X              X                                                  
           X                                                       X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000029501    0.000006355   -0.000000561
      2       16          -0.000008599   -0.000013766    0.000007358
      3        6           0.000001955    0.000008718   -0.000004327
      4        7          -0.000007692   -0.000006495   -0.000004765
      5        6          -0.000006479   -0.000021123    0.000000419
      6        8          -0.000000134    0.000020853    0.000003991
      7        8          -0.000014743   -0.000005387   -0.000002096
      8        1           0.000002367    0.000004160   -0.000003752
      9        1          -0.000000741   -0.000000809    0.000003140
     10        1          -0.000007104    0.000000818    0.000000712
     11        1           0.000005857    0.000006727    0.000003867
     12        1           0.000003188   -0.000003038   -0.000001393
     13        1           0.000003244   -0.000002210    0.000000339
     14        1          -0.000000621    0.000005197   -0.000002932
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000029501 RMS     0.000008321
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.949641D+02 -0.608975D+00 -0.108448D+01
      2  -0.608975D+00  0.784104D+02  0.283290D+00
      3  -0.108448D+01  0.283290D+00  0.616372D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.734991D-01 -0.321337D+01 -0.205456D+01
      2   0.438840D+01 -0.797735D+00  0.346465D+02
      3   0.690534D+01 -0.113288D+02  0.135077D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.936425D+02 -0.677770D+01  0.274969D+01
      2  -0.548148D+02  0.201065D+01  0.126943D-01
      3  -0.388278D+02  0.476705D+01 -0.276239D+01
      4  -0.710850D+01  0.139854D+02 -0.415684D+01
      5   0.691739D+01 -0.567769D+01  0.650636D+02
      6  -0.133948D+01  0.371724D+01  0.383748D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.983846D+01 -0.304891D+01  0.123249D+01 -0.372030D+01  0.859115D+00
      2  -0.304891D+01  0.146250D+00 -0.781172D+00  0.859115D+00  0.297243D+01
      3   0.123249D+01 -0.781172D+00 -0.939946D+00  0.772326D+00  0.957672D+00
                 6             7             8             9            10 
      1   0.772326D+00  0.204952D+01  0.491709D+00  0.228765D+01  0.103924D+02
      2   0.957672D+00  0.491709D+00  0.256230D+01  0.127621D+01  0.551639D+01
      3  -0.571357D+00  0.228765D+01  0.127621D+01 -0.637661D+01 -0.278481D+01
                11            12            13            14            15 
      1   0.551639D+01 -0.278481D+01  0.877862D+01  0.136360D+00  0.103184D+01
      2  -0.534994D+00  0.119684D+01  0.136360D+00  0.590120D+01 -0.278579D+01
      3   0.119684D+01  0.145076D+01  0.103184D+01 -0.278579D+01  0.199602D+01
                16            17            18            19            20 
      1  -0.452282D+01  0.827016D+00  0.319205D+01  0.419893D+01  0.305277D+01
      2   0.827016D+00 -0.319400D+01  0.818069D+00  0.305277D+01 -0.160331D+01
      3   0.319205D+01  0.818069D+00 -0.106587D+01 -0.418639D+00  0.496961D+00
                21            22            23            24            25 
      1  -0.418639D+00  0.367231D+01  0.548450D+00  0.536864D-01 -0.130733D+01
      2   0.496961D+00  0.548450D+00 -0.321162D+01 -0.582604D+00  0.111251D+01
      3  -0.700111D+00  0.536864D-01 -0.582604D+00  0.723113D+00 -0.302610D+00
                26            27            28            29            30 
      1   0.111251D+01 -0.302610D+00 -0.101778D+01 -0.241475D+01  0.679098D+00
      2  -0.139044D+01  0.557100D-02 -0.241475D+01 -0.158777D+01  0.870911D-01
      3   0.557100D-02  0.621983D+01  0.679098D+00  0.870911D-01 -0.187956D+01
                31            32            33            34            35 
      1  -0.143180D+01 -0.245620D+01  0.286947D+00  0.105773D+01  0.296872D+00
      2  -0.245620D+01  0.388713D+01  0.973713D+00  0.296872D+00  0.128335D+01
      3   0.286947D+00  0.973713D+00 -0.116611D+01 -0.224308D+01 -0.992162D+00
                36            37            38            39            40 
      1  -0.224308D+01 -0.369027D+01 -0.251138D+01 -0.315862D-01 -0.190585D+01
      2  -0.992162D+00 -0.251138D+01  0.128633D+01  0.125582D+00  0.342771D+01
      3  -0.306800D+01 -0.315862D-01  0.125582D+00 -0.462044D+00  0.350604D+00
                41            42            43            44            45 
      1   0.342771D+01  0.350604D+00  0.131321D+01  0.408399D+00 -0.303429D+00
      2   0.648734D+01  0.179315D+00  0.408399D+00  0.715786D+00  0.231753D+00
      3   0.179315D+00  0.444502D+00 -0.303429D+00  0.231753D+00 -0.324439D+00
                46            47            48            49            50 
      1  -0.210952D+01 -0.325198D+01 -0.205294D+00 -0.479880D+01 -0.355198D+01
      2  -0.325198D+01 -0.263020D+01 -0.216315D+00 -0.355198D+01 -0.130081D+02
      3  -0.205294D+00 -0.216315D+00 -0.108026D+00 -0.256667D+00 -0.350961D+00
                51            52            53            54            55 
      1  -0.256667D+00 -0.658265D+00 -0.161595D+00 -0.121010D+01 -0.842696D+01
      2  -0.350961D+00 -0.161595D+00 -0.275404D+00 -0.314938D+01  0.206541D+01
      3  -0.243745D+01 -0.121010D+01 -0.314938D+01 -0.232749D+00  0.522711D+00
                56            57            58            59            60 
      1   0.206541D+01  0.522711D+00 -0.184835D+01 -0.448019D+01 -0.763873D-01
      2  -0.242665D+01 -0.184397D+00 -0.448019D+01 -0.124458D+01  0.405386D-01
      3  -0.184397D+00 -0.791063D+00 -0.763873D-01  0.405386D-01  0.428220D+00
                61            62            63            64            65 
      1   0.885296D+00 -0.307673D+00 -0.194836D+01  0.761935D+00 -0.559515D+00
      2  -0.307673D+00 -0.177623D-01  0.116401D+01 -0.559515D+00  0.343271D+00
      3  -0.194836D+01  0.116401D+01  0.774503D+00 -0.774837D+00 -0.121924D+00
                66            67            68            69            70 
      1  -0.774837D+00 -0.989079D+00  0.103435D+00  0.898784D-01 -0.227123D+01
      2  -0.121924D+00  0.103435D+00  0.521999D+00 -0.972133D+00 -0.110986D+00
      3   0.758741D+00  0.898784D-01 -0.972133D+00 -0.342862D+00 -0.111960D+00
                71            72            73            74            75 
      1  -0.110986D+00 -0.111960D+00 -0.155716D+00  0.812383D-01  0.918487D+00
      2  -0.141195D+01  0.886875D-01  0.812383D-01 -0.849129D-01  0.238122D+00
      3   0.886875D-01 -0.779427D+01  0.918487D+00  0.238122D+00 -0.614433D+00
                76            77            78            79            80 
      1   0.963499D+00 -0.425935D+00 -0.221373D-01  0.341895D+01  0.220182D+00
      2  -0.425935D+00 -0.622750D+00  0.914869D+00  0.220182D+00  0.103263D+01
      3  -0.221373D-01  0.914869D+00  0.272150D+00 -0.203524D+01 -0.161957D+01
                81            82            83            84            85 
      1  -0.203524D+01 -0.459056D+00 -0.377898D+00 -0.366264D+00 -0.235372D+01
      2  -0.161957D+01 -0.377898D+00 -0.581194D-01  0.138374D+00 -0.959919D+00
      3   0.772651D+01 -0.366264D+00  0.138374D+00  0.106275D+00 -0.762644D-01
                86            87            88            89            90 
      1  -0.959919D+00 -0.762644D-01 -0.172484D+01 -0.276161D+00 -0.411736D+00
      2  -0.735888D+01 -0.411435D+00 -0.276161D+00 -0.157045D+01 -0.111608D+01
      3  -0.411435D+00 -0.791773D+00 -0.411736D+00 -0.111608D+01 -0.687140D-02
                91            92            93            94            95 
      1   0.182485D+01  0.224428D+01 -0.112168D+00  0.564790D+01  0.762780D-01
      2   0.224428D+01  0.325769D+00  0.108016D+00  0.762780D-01  0.500585D+01
      3  -0.112168D+00  0.108016D+00 -0.408596D+00 -0.178282D+00  0.269539D+00
                96            97            98            99           100 
      1  -0.178282D+00 -0.116350D+00 -0.924055D-01 -0.742338D+00  0.195333D+01
      2   0.269539D+00 -0.924055D-01  0.923137D-01  0.651567D+00  0.195458D+01
      3   0.922897D+00 -0.742338D+00  0.651567D+00  0.174280D+00 -0.802163D+00
               101           102           103           104           105 
      1   0.195458D+01 -0.802163D+00  0.260541D+01  0.209073D+01 -0.828580D+00
      2   0.298574D+01 -0.962116D+00  0.209073D+01  0.424776D+01 -0.115971D+01
      3  -0.962116D+00  0.108223D+01 -0.828580D+00 -0.115971D+01  0.139969D+01
               106           107           108           109           110 
      1  -0.236457D+01 -0.122940D+01  0.109862D+01  0.132461D+00  0.697865D+00
      2  -0.122940D+01 -0.263926D+01  0.174478D+01  0.697865D+00  0.829127D+00
      3   0.109862D+01  0.174478D+01 -0.188153D+01  0.640905D+00  0.791199D+00
               111           112           113           114           115 
      1   0.640905D+00  0.685017D+00  0.343129D+00  0.427162D+00  0.201969D+01
      2   0.791199D+00  0.343129D+00  0.148531D+01  0.793217D+00  0.407859D+00
      3   0.121104D+01  0.427162D+00  0.793217D+00  0.916957D+00  0.145392D+01
               116           117           118           119           120 
      1   0.407859D+00  0.145392D+01  0.643381D+01 -0.344810D+01  0.150207D+01
      2   0.238408D+01  0.181669D+01 -0.344810D+01  0.300946D+01 -0.916261D+00
      3   0.181669D+01  0.534147D+01  0.150207D+01 -0.916261D+00  0.129473D+01
               121           122           123           124           125 
      1  -0.530487D+01  0.428901D+01 -0.157412D+01  0.222101D+01 -0.158633D+01
      2   0.428901D+01 -0.506308D+01  0.213377D+01 -0.158633D+01  0.242880D+01
      3  -0.157412D+01  0.213377D+01 -0.179399D+01  0.127662D+01 -0.920137D+00
               126 
      1   0.127662D+01
      2  -0.920137D+00
      3   0.513745D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.982431D+00 -0.133752D+01  0.664969D+00  0.267038D+00  0.575060D+01
      2   0.586750D+01 -0.187868D+01 -0.411365D+01  0.162184D+01 -0.105271D+01
      3   0.578760D+01  0.467744D+01  0.169567D+01  0.128072D+02 -0.330081D+01
                 6             7             8             9            10 
      1  -0.311400D+01  0.544975D+01  0.405060D+01 -0.509493D+01  0.293275D+00
      2  -0.215072D+01 -0.843214D+01 -0.311867D+00 -0.189227D+01 -0.124090D+02
      3  -0.301504D+01 -0.227653D+01 -0.358658D+01 -0.402098D+01 -0.204037D+02
                11            12            13            14            15 
      1   0.172025D+01  0.271321D+00  0.151035D+01  0.100535D+01 -0.566115D+01
      2   0.260003D+01  0.820046D+01  0.105065D+01 -0.796766D+01  0.716877D+01
      3  -0.196096D+01 -0.143131D+01  0.192625D+02 -0.209078D+02  0.737522D+01
                16            17            18            19            20 
      1  -0.410782D+00  0.100367D+02 -0.174399D+01 -0.197034D+01  0.825243D+00
      2  -0.105495D+02  0.336827D+01 -0.157331D+01  0.736936D+00 -0.103773D+01
      3  -0.249247D+00  0.957298D+01 -0.331445D+01  0.173799D+01 -0.537438D+01
                21            22            23            24            25 
      1  -0.685092D+00  0.411511D+00  0.683710D+00 -0.474588D+00 -0.225189D+01
      2   0.278810D+01  0.187805D+01 -0.107555D+01  0.385167D+01 -0.326467D+01
      3   0.642385D+00 -0.348841D+01 -0.230986D+01  0.678058D-01 -0.430282D+00
                26            27            28            29            30 
      1   0.446826D+01 -0.419153D+00 -0.161973D+01 -0.150595D+01  0.601069D+01
      2  -0.241761D+00 -0.404158D+01 -0.449549D-01  0.133383D+01  0.582873D+01
      3   0.269282D+01  0.582540D+00 -0.222929D+01 -0.155849D+02  0.129646D+01
                31            32            33            34            35 
      1  -0.286767D+01 -0.457891D+01 -0.205306D+01  0.594940D+01  0.756941D+01
      2   0.200725D+00  0.240071D+00 -0.159627D+01 -0.197206D+01 -0.954382D-01
      3  -0.245660D+00 -0.170249D+00  0.190927D+01  0.288994D+01  0.224887D+01
                36            37            38            39            40 
      1   0.571482D+01  0.119958D+01  0.815987D+00  0.164353D+00  0.174771D+01
      2   0.255831D+01 -0.331326D+01 -0.131372D+00 -0.630482D+01  0.255488D+00
      3  -0.715732D+01 -0.860996D+01  0.199832D+01 -0.118994D+00  0.896090D-01
                41            42            43            44            45 
      1  -0.674564D+00  0.952302D+01 -0.194649D+00  0.951779D+01  0.885793D+00
      2   0.158481D+01 -0.245465D+01 -0.200354D+02 -0.152739D+01  0.361502D+01
      3   0.138554D+02 -0.117498D+01  0.780361D+00 -0.210267D+01  0.936806D+00
                46            47            48            49            50 
      1  -0.339536D-02  0.524683D-01 -0.291325D+01  0.929936D-01  0.133915D+01
      2   0.134505D+00  0.614605D+00  0.581348D+01 -0.246006D+01 -0.675355D+00
      3  -0.144230D+01 -0.736912D+01 -0.519370D+00  0.110029D+02 -0.237296D+02
                51            52            53            54            55 
      1  -0.112172D+02 -0.531909D+00  0.844598D+00 -0.149496D+00 -0.106176D+01
      2   0.561987D+01  0.351955D+01  0.587794D+01 -0.227993D+00 -0.147672D+00
      3   0.170250D+00 -0.122331D+01  0.126533D+00 -0.589373D+01 -0.485002D+01
                56            57            58            59            60 
      1  -0.970703D+00  0.286743D+01 -0.466379D+00 -0.861246D+00 -0.378674D+01
      2   0.951258D+00  0.961625D+01  0.193382D+01 -0.318659D-01 -0.141533D+01
      3  -0.180065D+02 -0.547775D+00 -0.143501D+02 -0.117939D+02  0.480594D-02
                61            62            63            64            65 
      1   0.709188D+00  0.220012D+01 -0.529750D+00  0.340521D+00 -0.819413D+00
      2   0.696456D+01 -0.157109D+01 -0.300890D+01  0.270240D+01 -0.517379D+00
      3   0.226294D+00  0.162332D+01  0.245845D+01  0.174970D+00 -0.163032D+00
                66            67            68            69            70 
      1   0.403197D-01 -0.284462D+00 -0.608719D+00 -0.285581D+00  0.444894D+00
      2   0.188312D+00 -0.612218D+00  0.801192D+00 -0.403308D+00 -0.369919D+01
      3  -0.318181D+00  0.202075D+01 -0.622670D-01 -0.134018D+00  0.336627D+00
                71            72            73            74            75 
      1   0.269327D+01  0.109225D+01  0.112127D+01 -0.105698D+01 -0.128861D+01
      2   0.104712D+00  0.247425D+01  0.176373D+01  0.715124D+00  0.278823D+01
      3  -0.598863D+00  0.440902D+00  0.144347D+01 -0.193651D+01 -0.153702D+01
                76            77            78            79            80 
      1  -0.813294D+00 -0.266442D-01 -0.860592D-01 -0.251448D+01  0.140969D+01
      2  -0.692201D-02  0.117283D+01  0.597941D+00 -0.402612D+01 -0.615060D+00
      3  -0.308238D+00  0.207323D+00 -0.417566D+00 -0.402450D+01 -0.310221D+00
                81            82            83            84            85 
      1   0.657246D+01 -0.114900D+01 -0.386970D+00 -0.906877D+00 -0.827466D+00
      2   0.364144D+01  0.222496D+00  0.940027D+00  0.203674D+01  0.113872D+01
      3   0.385469D+01  0.258104D+01 -0.413631D+00 -0.286431D+00  0.553561D+01
                86            87            88            89            90 
      1  -0.377913D+01 -0.288385D+01 -0.885752D+00 -0.126275D+01 -0.190237D-01
      2   0.162318D+01 -0.216883D+00 -0.767191D+00 -0.310896D+00 -0.749912D+00
      3   0.654371D+01  0.964043D+00  0.249371D+01  0.190520D+01  0.149636D+01
                91            92            93            94            95 
      1   0.782981D+00  0.748344D+00  0.896485D+00  0.598484D+00  0.108344D+01
      2  -0.801715D+00 -0.929452D+00 -0.152655D+01 -0.718123D+00 -0.122407D+01
      3   0.896692D+01  0.110356D+02  0.149347D+00  0.145184D+02  0.197867D+02
                96            97            98            99           100 
      1  -0.121582D+01  0.108893D+01  0.105301D+01  0.114271D+00  0.218281D+01
      2  -0.257452D+01 -0.177945D+01 -0.206691D+01 -0.124326D+00  0.166275D+01
      3   0.818282D+00 -0.327949D+00 -0.364128D+00  0.126954D+00  0.699031D+01
               101           102           103           104           105 
      1   0.217557D+01 -0.359490D+01  0.234888D+01  0.260787D+01 -0.331035D+01
      2  -0.184436D+00 -0.145623D+00  0.394732D+00  0.674003D+00  0.666785D+00
      3   0.414717D+01 -0.234378D+01  0.844778D+01  0.475557D+01 -0.293290D+01
               106           107           108           109           110 
      1  -0.335415D+01 -0.244313D+01  0.371559D+01 -0.137023D+01 -0.651848D+00
      2  -0.234470D+01  0.204019D+00 -0.360812D+00 -0.199258D+01  0.365867D+00
      3  -0.701575D+01 -0.392057D+01  0.357595D+01  0.214917D+01  0.914360D+00
               111           112           113           114           115 
      1  -0.332456D+01 -0.531360D+00 -0.171481D+01 -0.224086D+01 -0.415761D+01
      2  -0.485818D+00 -0.583156D-01 -0.430803D+00  0.400106D+00 -0.338232D+01
      3   0.108466D+01  0.236350D+01  0.458964D+00  0.115884D+01  0.503150D+01
               116           117           118           119           120 
      1  -0.194865D+01 -0.112054D+02  0.271587D+00  0.391528D+00  0.179772D+01
      2  -0.349453D+00 -0.221179D+01  0.507718D+01 -0.269984D+01  0.613398D+01
      3   0.139394D+01  0.494713D+01  0.800679D+01 -0.111686D+02  0.209257D+01
               121           122           123           124           125 
      1  -0.644661D+00 -0.367948D+00 -0.401159D+01  0.356035D+00  0.101575D+01
      2  -0.461839D+01  0.636192D+01 -0.749346D+01  0.228662D+01 -0.215970D+01
      3  -0.101738D+02  0.163615D+02 -0.533638D+01  0.378914D+01 -0.868063D+01
               126 
      1   0.120835D+01
      2   0.244425D+01
      3   0.196670D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.465130D+02 -0.520011D+01  0.120351D+01 -0.992349D+01  0.935924D+01
      2   0.261042D+02  0.347005D+01 -0.268815D+01  0.563751D+01 -0.123554D+02
      3   0.204088D+02  0.173006D+01  0.148464D+01  0.428598D+01  0.299621D+01
      4  -0.547234D+01 -0.807345D+01 -0.313417D+01  0.772993D+01  0.123760D+01
      5   0.744543D+01 -0.275220D+01 -0.131798D+02  0.502033D+01  0.823801D+00
      6  -0.313800D+01  0.220799D+01 -0.170079D+01  0.153539D+01 -0.434097D+01
                 6             7             8             9            10 
      1   0.654150D+01  0.490152D+01  0.599574D+01  0.174968D+02  0.680456D+02
      2  -0.600901D+01 -0.703710D+01 -0.551023D+01 -0.286309D+01 -0.404438D+02
      3  -0.532483D+00  0.213558D+01 -0.485509D+00 -0.146338D+02 -0.276019D+02
      4   0.534732D+00  0.408921D+01  0.584643D+01  0.174455D+01  0.299739D+02
      5  -0.563610D+01  0.967140D+01  0.248881D+01 -0.404602D+01 -0.182755D+02
      6   0.314293D+01 -0.342786D+01  0.212139D+01  0.595380D+01  0.410125D+01
                11            12            13            14            15 
      1   0.274258D+02 -0.157277D+02  0.381689D+02 -0.105590D+02  0.114005D+01
      2  -0.141601D+02  0.591894D+01 -0.198618D+02  0.125185D+02  0.259639D+01
      3  -0.132658D+02  0.980878D+01 -0.183071D+02 -0.195955D+01 -0.373645D+01
      4   0.709738D+01  0.836257D+01  0.108609D+02  0.303754D+02 -0.161478D+02
      5   0.753984D+01  0.231473D+02  0.724223D+01 -0.156007D+02  0.116427D+02
      6  -0.192962D+01  0.484367D+00 -0.430889D+01  0.796924D+01  0.154859D+02
                16            17            18            19            20 
      1  -0.191005D+02 -0.248557D+00 -0.203322D+01 -0.616209D+00 -0.169889D+01
      2   0.820861D+01 -0.748269D+00 -0.181195D+02  0.357376D+01  0.481311D+00
      3   0.108919D+02  0.996826D+00  0.201527D+02 -0.295755D+01  0.121758D+01
      4   0.848256D+01 -0.177821D+02  0.513017D+01 -0.487319D+01  0.627223D+01
      5   0.301293D+02  0.609747D+01 -0.389832D+01  0.833199D+00  0.746389D+00
      6   0.875390D+00  0.118555D+02  0.679323D+01  0.738231D+00 -0.211458D+01
                21            22            23            24            25 
      1  -0.118263D+01  0.667333D+01  0.571639D+01  0.111545D+01 -0.662093D+01
      2  -0.653858D+00 -0.289777D+01 -0.917727D+01 -0.615969D+00  0.329854D+01
      3   0.183649D+01 -0.377555D+01  0.346088D+01 -0.499482D+00  0.332239D+01
      4   0.513099D+00 -0.855008D+01  0.834640D+01  0.107412D+01 -0.131765D+01
      5   0.197112D+01  0.747128D+00  0.157242D+01  0.500652D+01 -0.155935D+01
      6  -0.162566D-02 -0.167472D+01 -0.205366D+00 -0.356896D+01  0.542751D-01
                26            27            28            29            30 
      1   0.949106D+00  0.675767D+01  0.197029D+02  0.558066D+01  0.113445D+01
      2  -0.405706D+01  0.926735D+01 -0.157360D+02 -0.872352D+01  0.286671D+01
      3   0.310795D+01 -0.160250D+02 -0.396692D+01  0.314286D+01 -0.400116D+01
      4  -0.138342D+01 -0.631671D-01 -0.370054D+01 -0.341171D+01  0.150258D+01
      5  -0.923201D+00 -0.212789D+01  0.593387D+00  0.792045D+00  0.437098D+01
      6   0.102780D+01  0.157435D+01  0.327613D+01  0.334841D+01 -0.105586D+02
                31            32            33            34            35 
      1   0.260081D+01 -0.145664D+02 -0.305416D+01 -0.195532D+01 -0.227351D+01
      2  -0.849732D+01  0.237947D+02  0.567575D+01  0.414286D+01  0.696256D+01
      3   0.589650D+01 -0.922831D+01 -0.262160D+01 -0.218754D+01 -0.468905D+01
      4   0.245657D+01 -0.127620D+02  0.478775D+00  0.251004D+01  0.170858D+01
      5   0.476567D+00 -0.352022D+00 -0.334584D+01  0.363225D+01 -0.298209D+01
      6   0.290014D+01  0.682914D+01  0.974339D+00 -0.111793D+02 -0.313856D+01
                36            37            38            39            40 
      1   0.455127D+01 -0.610415D+01  0.144445D+02  0.553263D+00 -0.176530D+01
      2  -0.322756D+01  0.160274D+01 -0.133556D+02 -0.291800D+01 -0.386503D+01
      3  -0.132371D+01  0.450141D+01 -0.108887D+01  0.236473D+01  0.563033D+01
      4  -0.838751D+01  0.861297D+01 -0.153040D+02 -0.183492D+01 -0.268562D+02
      5  -0.668476D-01 -0.517502D+00 -0.244858D+01 -0.910145D+01 -0.448327D+01
      6  -0.890878D+01 -0.566938D+00 -0.687020D+00  0.161870D+01 -0.988076D+00
                41            42            43            44            45 
      1   0.369803D+01  0.608189D+00  0.551471D+01 -0.325571D+01 -0.521890D+01
      2  -0.158928D+02  0.119516D+01 -0.449359D+01  0.134302D+01 -0.611061D+01
      3   0.121948D+02 -0.180335D+01 -0.102112D+01  0.191269D+01  0.113295D+02
      4  -0.303054D+02 -0.781206D+00 -0.291090D+01  0.187468D+01 -0.209801D+01
      5  -0.160336D+01 -0.326219D+01  0.275449D+01 -0.174249D+01  0.403499D+01
      6  -0.249966D+01 -0.139613D+02 -0.305061D+00  0.383555D+01 -0.878319D+00
                46            47            48            49            50 
      1   0.124970D+02  0.679418D+01  0.199651D-01  0.108426D+02 -0.210990D+02
      2  -0.203252D+01  0.267521D+01  0.328457D+00  0.295176D+01  0.422910D+02
      3  -0.104645D+02 -0.946939D+01 -0.348422D+00 -0.137943D+02 -0.211921D+02
      4   0.210634D+02  0.251667D+02  0.176220D+01  0.305906D+02  0.580608D+02
      5   0.174788D+01  0.206334D+01  0.920788D+01  0.239947D+01  0.278734D+01
      6   0.964354D+00  0.977223D+00  0.387855D+01  0.167903D+01  0.266889D+01
                51            52            53            54            55 
      1  -0.168545D+01 -0.620940D+00 -0.569940D+00 -0.309576D+01  0.568383D+02
      2   0.324818D+00  0.879763D+00 -0.236164D+00  0.268201D+01 -0.341046D+02
      3   0.136063D+01 -0.258822D+00  0.806103D+00  0.413742D+00 -0.227337D+02
      4   0.201991D+01  0.901870D+00  0.424296D+00  0.137600D+02 -0.227702D+02
      5   0.114494D+02  0.104385D+02  0.139447D+02  0.135324D+01 -0.310578D+01
      6   0.174311D+02  0.470495D+01  0.139794D+02  0.135089D+01  0.622622D+00
                56            57            58            59            60 
      1  -0.105280D+02 -0.133450D+01  0.714474D+01  0.143184D+02 -0.676880D+00
      2   0.388580D+01  0.228217D+01 -0.758801D+01 -0.642450D+01 -0.196187D+00
      3   0.664221D+01 -0.947665D+00  0.443267D+00 -0.789387D+01  0.873068D+00
      4   0.212784D+02  0.194175D+01  0.217631D+02 -0.255339D+01 -0.127641D+01
      5   0.150947D+01  0.179360D+02 -0.106738D+00 -0.141568D+01 -0.425716D+01
      6  -0.108723D+00 -0.480169D+01 -0.794738D+00  0.631472D+00  0.762576D+01
                61            62            63            64            65 
      1  -0.250391D+01  0.147787D+01  0.708357D+01  0.176803D+01  0.697289D-01
      2   0.250186D+01 -0.545767D+00 -0.892469D+01 -0.398640D+01 -0.112988D+00
      3   0.204620D-02 -0.932099D+00  0.184112D+01  0.221837D+01  0.432592D-01
      4   0.196773D+01 -0.166350D+01 -0.607765D+01 -0.362810D+00  0.471152D+00
      5   0.164920D+02 -0.663032D+01 -0.577980D+01 -0.315344D-01 -0.316868D+00
      6  -0.219774D+01  0.499804D+01  0.109909D+01 -0.316311D+00  0.423458D+00
                66            67            68            69            70 
      1   0.130060D+01  0.543903D+00 -0.479766D+01 -0.263861D+00  0.961338D+00
      2   0.569460D+00  0.355109D+00  0.101648D+01 -0.837745D+00  0.112539D+01
      3  -0.187006D+01 -0.899012D+00  0.378118D+01  0.110161D+01 -0.208673D+01
      4  -0.521290D+00  0.223209D+01 -0.908441D+00  0.329066D+00  0.133156D+01
      5   0.412381D+01  0.249705D+00  0.105928D+00 -0.497148D+00  0.372237D+01
      6   0.353656D+00  0.314309D+00  0.541404D+00  0.663041D+01  0.117953D+00
                71            72            73            74            75 
      1   0.177548D+01 -0.188964D+02  0.234235D+01 -0.612053D+00  0.361904D+01
      2  -0.987701D+00 -0.130051D+02 -0.449403D+01  0.824726D-01  0.104416D+01
      3  -0.787780D+00  0.319015D+02  0.215168D+01  0.529580D+00 -0.466320D+01
      4   0.895668D+00 -0.348885D+00  0.604114D-01  0.270845D+01 -0.714607D+00
      5   0.135528D+00  0.140686D+01 -0.250812D+01  0.141012D+00  0.809899D+01
      6   0.372406D+01 -0.276860D+01 -0.521397D+00 -0.101564D+01  0.148730D+01
                76            77            78            79            80 
      1   0.258770D+01 -0.515002D+01  0.197841D+01  0.130062D+02  0.583662D+01
      2  -0.780384D+00  0.252812D+01 -0.139956D+01 -0.202633D+01 -0.103637D+01
      3  -0.180732D+01  0.262190D+01 -0.578847D+00 -0.109799D+02 -0.480025D+01
      4   0.220480D+00  0.139595D+00  0.773379D+00 -0.207524D+01  0.116191D+00
      5  -0.578241D+00  0.825792D+00  0.823720D+00  0.121595D+01 -0.247809D+01
      6  -0.105050D+01 -0.236714D+01  0.502005D+01  0.304334D+01  0.560707D+01
                81            82            83            84            85 
      1  -0.267197D+02  0.281878D+01 -0.102746D+01  0.217433D+00 -0.867377D+01
      2  -0.608316D+01  0.920249D+00  0.158086D+01  0.756606D+00  0.790366D+01
      3   0.328029D+02 -0.373903D+01 -0.553401D+00 -0.974040D+00  0.770116D+00
      4  -0.850531D+00  0.188916D+01  0.560681D+01  0.141859D+01  0.207611D+01
      5   0.432111D+01  0.785482D+00  0.879291D+00  0.263337D+01 -0.554188D+00
      6  -0.123916D+02  0.143452D+01  0.102089D+00  0.974904D-01 -0.500241D-01
                86            87            88            89            90 
      1  -0.208013D+02 -0.607603D+00 -0.419222D+01 -0.427170D+01 -0.507908D+01
      2   0.297996D+02  0.242707D+01  0.371509D+01  0.536317D+01  0.323103D+01
      3  -0.899837D+01 -0.181946D+01  0.477135D+00 -0.109147D+01  0.184805D+01
      4  -0.743772D+01  0.373296D+00  0.210007D+00 -0.231344D+01 -0.993295D+00
      5   0.879326D-01 -0.489475D+00  0.348853D+00 -0.120032D+01 -0.901406D+00
      6   0.492858D+00  0.353518D+01  0.106485D+01  0.522383D+01  0.942155D+00
                91            92            93            94            95 
      1  -0.149604D+02 -0.422846D+01  0.130084D+00 -0.187632D+02 -0.696659D+01
      2   0.122243D+02  0.665289D+00 -0.151222D+00  0.986295D+01  0.108786D+02
      3   0.273613D+01  0.356317D+01  0.211376D-01  0.890023D+01 -0.391200D+01
      4  -0.402932D+01 -0.225638D+00 -0.405887D+00  0.808317D+01 -0.210714D+02
      5   0.935915D+00  0.151652D+00 -0.189211D+01  0.159459D+01 -0.462466D+00
      6  -0.168971D+00 -0.269555D+00 -0.179923D+01 -0.346167D+00  0.766824D+00
                96            97            98            99           100 
      1   0.220774D+00  0.806467D+00 -0.181187D+00 -0.604692D+00 -0.306664D+01
      2  -0.118448D+00 -0.428268D+00  0.512559D-01 -0.772678D-02  0.643237D+01
      3  -0.102326D+00 -0.378199D+00  0.129931D+00  0.612419D+00 -0.336572D+01
      4  -0.107357D+01  0.238711D-01 -0.375308D+00 -0.319066D+01  0.632942D+01
      5  -0.461071D+01  0.368067D+01 -0.295717D+01 -0.428278D+00 -0.205691D+01
      6   0.188429D+01 -0.184808D+01  0.289602D+01  0.249056D+00 -0.515717D+01
               101           102           103           104           105 
      1  -0.801003D+01  0.197905D+01 -0.559912D+01 -0.120971D+02  0.381376D+01
      2   0.123272D+02 -0.386119D+01  0.897398D+01  0.187275D+02 -0.620521D+01
      3  -0.431722D+01  0.188214D+01 -0.337486D+01 -0.663049D+01  0.239145D+01
      4   0.894572D+01 -0.347183D+01  0.904359D+01  0.790143D+01 -0.332878D+01
      5  -0.196580D+01  0.208982D+01 -0.395670D+00 -0.177124D+01  0.151743D+01
      6  -0.614558D+01  0.628801D+01 -0.518164D+01 -0.837345D+01  0.691322D+01
               106           107           108           109           110 
      1   0.319674D+01  0.780722D+01 -0.689860D+01 -0.169190D+01 -0.359178D+01
      2  -0.445042D+01 -0.925409D+01  0.502137D+01  0.116173D+01  0.382307D+01
      3   0.125367D+01  0.144687D+01  0.187723D+01  0.530169D+00 -0.231294D+00
      4  -0.521781D+01 -0.442802D+01  0.462921D+01  0.839583D+00  0.376558D+01
      5   0.211466D+01  0.209508D+01 -0.223535D+01  0.132147D+01  0.115140D+01
      6   0.622265D+01  0.105556D+02 -0.860616D+01  0.242242D+01  0.345165D+01
               111           112           113           114           115 
      1  -0.269375D+01 -0.687181D+00 -0.432676D+01 -0.239198D+01 -0.170104D+01
      2   0.125159D+01  0.102089D+01  0.496078D+01  0.290443D+01 -0.266941D+00
      3   0.144216D+01 -0.333711D+00 -0.634016D+00 -0.512451D+00  0.196798D+01
      4   0.231419D+01  0.387950D+01  0.235165D+01  0.205597D+01  0.455500D+01
      5   0.213574D+01  0.261124D+00  0.124062D+01  0.159434D+01  0.225959D+01
      6   0.612254D+01  0.257935D+01  0.365251D+01  0.626664D+01  0.628677D+01
               116           117           118           119           120 
      1  -0.694537D+01 -0.105687D+02  0.355581D+02 -0.202301D+02  0.933523D+01
      2   0.511400D+01 -0.773744D+00 -0.145315D+02  0.776688D+01 -0.402268D+01
      3   0.183137D+01  0.113424D+02 -0.210267D+02  0.124632D+02 -0.531254D+01
      4   0.221546D+01  0.421495D+01 -0.281694D+02  0.241128D+02 -0.744898D+01
      5   0.119257D+01  0.201913D+01  0.117481D+02 -0.720769D+01  0.100956D+02
      6   0.905966D+01  0.198720D+02 -0.369073D+01  0.175989D+01 -0.146871D+01
               121           122           123           124           125 
      1  -0.227439D+02  0.149980D+02 -0.692706D+01  0.903083D+01 -0.628492D+01
      2   0.597245D+01  0.188183D+01  0.636228D+00 -0.444648D+01  0.335277D+01
      3   0.167714D+02 -0.168799D+02  0.629083D+01 -0.458435D+01  0.293215D+01
      4   0.314343D+02 -0.339835D+02  0.138840D+02 -0.125503D+02  0.148645D+02
      5  -0.118730D+02  0.137616D+02 -0.993547D+01  0.100635D+02 -0.764946D+01
      6   0.430205D+01 -0.548246D+01  0.425775D+01 -0.402114D+01  0.666505D+01
               126 
      1   0.213419D+01
      2  -0.217807D+01
      3   0.438743D-01
      4  -0.746911D+01
      5   0.526409D+01
      6  -0.399776D+01
 Leave Link  716 at Thu Aug 12 19:42:05 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.949641D+02 -0.608975D+00 -0.108448D+01
      2  -0.608975D+00  0.784104D+02  0.283290D+00
      3  -0.108448D+01  0.283290D+00  0.616372D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.734991D-01 -0.321337D+01 -0.205456D+01
      2   0.438840D+01 -0.797735D+00  0.346465D+02
      3   0.690534D+01 -0.113288D+02  0.135077D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.936425D+02 -0.677770D+01  0.274969D+01
      2  -0.548148D+02  0.201065D+01  0.126943D-01
      3  -0.388278D+02  0.476705D+01 -0.276239D+01
      4  -0.710850D+01  0.139854D+02 -0.415684D+01
      5   0.691739D+01 -0.567769D+01  0.650636D+02
      6  -0.133948D+01  0.371724D+01  0.383748D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.983846D+01 -0.304891D+01  0.123249D+01 -0.372030D+01  0.859115D+00
      2  -0.304891D+01  0.146250D+00 -0.781172D+00  0.859115D+00  0.297243D+01
      3   0.123249D+01 -0.781172D+00 -0.939946D+00  0.772326D+00  0.957672D+00
                 6             7             8             9            10 
      1   0.772326D+00  0.204952D+01  0.491709D+00  0.228765D+01  0.103924D+02
      2   0.957672D+00  0.491709D+00  0.256230D+01  0.127621D+01  0.551639D+01
      3  -0.571357D+00  0.228765D+01  0.127621D+01 -0.637661D+01 -0.278481D+01
                11            12            13            14            15 
      1   0.551639D+01 -0.278481D+01  0.877862D+01  0.136360D+00  0.103184D+01
      2  -0.534994D+00  0.119684D+01  0.136360D+00  0.590120D+01 -0.278579D+01
      3   0.119684D+01  0.145076D+01  0.103184D+01 -0.278579D+01  0.199602D+01
                16            17            18            19            20 
      1  -0.452282D+01  0.827016D+00  0.319205D+01  0.419893D+01  0.305277D+01
      2   0.827016D+00 -0.319400D+01  0.818069D+00  0.305277D+01 -0.160331D+01
      3   0.319205D+01  0.818069D+00 -0.106587D+01 -0.418639D+00  0.496961D+00
                21            22            23            24            25 
      1  -0.418639D+00  0.367231D+01  0.548450D+00  0.536864D-01 -0.130733D+01
      2   0.496961D+00  0.548450D+00 -0.321162D+01 -0.582604D+00  0.111251D+01
      3  -0.700111D+00  0.536864D-01 -0.582604D+00  0.723113D+00 -0.302610D+00
                26            27            28            29            30 
      1   0.111251D+01 -0.302610D+00 -0.101778D+01 -0.241475D+01  0.679098D+00
      2  -0.139044D+01  0.557100D-02 -0.241475D+01 -0.158777D+01  0.870911D-01
      3   0.557100D-02  0.621983D+01  0.679098D+00  0.870911D-01 -0.187956D+01
                31            32            33            34            35 
      1  -0.143180D+01 -0.245620D+01  0.286947D+00  0.105773D+01  0.296872D+00
      2  -0.245620D+01  0.388713D+01  0.973713D+00  0.296872D+00  0.128335D+01
      3   0.286947D+00  0.973713D+00 -0.116611D+01 -0.224308D+01 -0.992162D+00
                36            37            38            39            40 
      1  -0.224308D+01 -0.369027D+01 -0.251138D+01 -0.315862D-01 -0.190585D+01
      2  -0.992162D+00 -0.251138D+01  0.128633D+01  0.125582D+00  0.342771D+01
      3  -0.306800D+01 -0.315862D-01  0.125582D+00 -0.462044D+00  0.350604D+00
                41            42            43            44            45 
      1   0.342771D+01  0.350604D+00  0.131321D+01  0.408399D+00 -0.303429D+00
      2   0.648734D+01  0.179315D+00  0.408399D+00  0.715786D+00  0.231753D+00
      3   0.179315D+00  0.444502D+00 -0.303429D+00  0.231753D+00 -0.324439D+00
                46            47            48            49            50 
      1  -0.210952D+01 -0.325198D+01 -0.205294D+00 -0.479880D+01 -0.355198D+01
      2  -0.325198D+01 -0.263020D+01 -0.216315D+00 -0.355198D+01 -0.130081D+02
      3  -0.205294D+00 -0.216315D+00 -0.108026D+00 -0.256667D+00 -0.350961D+00
                51            52            53            54            55 
      1  -0.256667D+00 -0.658265D+00 -0.161595D+00 -0.121010D+01 -0.842696D+01
      2  -0.350961D+00 -0.161595D+00 -0.275404D+00 -0.314938D+01  0.206541D+01
      3  -0.243745D+01 -0.121010D+01 -0.314938D+01 -0.232749D+00  0.522711D+00
                56            57            58            59            60 
      1   0.206541D+01  0.522711D+00 -0.184835D+01 -0.448019D+01 -0.763873D-01
      2  -0.242665D+01 -0.184397D+00 -0.448019D+01 -0.124458D+01  0.405386D-01
      3  -0.184397D+00 -0.791063D+00 -0.763873D-01  0.405386D-01  0.428220D+00
                61            62            63            64            65 
      1   0.885296D+00 -0.307673D+00 -0.194836D+01  0.761935D+00 -0.559515D+00
      2  -0.307673D+00 -0.177623D-01  0.116401D+01 -0.559515D+00  0.343271D+00
      3  -0.194836D+01  0.116401D+01  0.774503D+00 -0.774837D+00 -0.121924D+00
                66            67            68            69            70 
      1  -0.774837D+00 -0.989079D+00  0.103435D+00  0.898784D-01 -0.227123D+01
      2  -0.121924D+00  0.103435D+00  0.521999D+00 -0.972133D+00 -0.110986D+00
      3   0.758741D+00  0.898784D-01 -0.972133D+00 -0.342862D+00 -0.111960D+00
                71            72            73            74            75 
      1  -0.110986D+00 -0.111960D+00 -0.155716D+00  0.812383D-01  0.918487D+00
      2  -0.141195D+01  0.886875D-01  0.812383D-01 -0.849129D-01  0.238122D+00
      3   0.886875D-01 -0.779427D+01  0.918487D+00  0.238122D+00 -0.614433D+00
                76            77            78            79            80 
      1   0.963499D+00 -0.425935D+00 -0.221373D-01  0.341895D+01  0.220182D+00
      2  -0.425935D+00 -0.622750D+00  0.914869D+00  0.220182D+00  0.103263D+01
      3  -0.221373D-01  0.914869D+00  0.272150D+00 -0.203524D+01 -0.161957D+01
                81            82            83            84            85 
      1  -0.203524D+01 -0.459056D+00 -0.377898D+00 -0.366264D+00 -0.235372D+01
      2  -0.161957D+01 -0.377898D+00 -0.581194D-01  0.138374D+00 -0.959919D+00
      3   0.772651D+01 -0.366264D+00  0.138374D+00  0.106275D+00 -0.762644D-01
                86            87            88            89            90 
      1  -0.959919D+00 -0.762644D-01 -0.172484D+01 -0.276161D+00 -0.411736D+00
      2  -0.735888D+01 -0.411435D+00 -0.276161D+00 -0.157045D+01 -0.111608D+01
      3  -0.411435D+00 -0.791773D+00 -0.411736D+00 -0.111608D+01 -0.687140D-02
                91            92            93            94            95 
      1   0.182485D+01  0.224428D+01 -0.112168D+00  0.564790D+01  0.762780D-01
      2   0.224428D+01  0.325769D+00  0.108016D+00  0.762780D-01  0.500585D+01
      3  -0.112168D+00  0.108016D+00 -0.408596D+00 -0.178282D+00  0.269539D+00
                96            97            98            99           100 
      1  -0.178282D+00 -0.116350D+00 -0.924055D-01 -0.742338D+00  0.195333D+01
      2   0.269539D+00 -0.924055D-01  0.923137D-01  0.651567D+00  0.195458D+01
      3   0.922897D+00 -0.742338D+00  0.651567D+00  0.174280D+00 -0.802163D+00
               101           102           103           104           105 
      1   0.195458D+01 -0.802163D+00  0.260541D+01  0.209073D+01 -0.828580D+00
      2   0.298574D+01 -0.962116D+00  0.209073D+01  0.424776D+01 -0.115971D+01
      3  -0.962116D+00  0.108223D+01 -0.828580D+00 -0.115971D+01  0.139969D+01
               106           107           108           109           110 
      1  -0.236457D+01 -0.122940D+01  0.109862D+01  0.132461D+00  0.697865D+00
      2  -0.122940D+01 -0.263926D+01  0.174478D+01  0.697865D+00  0.829127D+00
      3   0.109862D+01  0.174478D+01 -0.188153D+01  0.640905D+00  0.791199D+00
               111           112           113           114           115 
      1   0.640905D+00  0.685017D+00  0.343129D+00  0.427162D+00  0.201969D+01
      2   0.791199D+00  0.343129D+00  0.148531D+01  0.793217D+00  0.407859D+00
      3   0.121104D+01  0.427162D+00  0.793217D+00  0.916957D+00  0.145392D+01
               116           117           118           119           120 
      1   0.407859D+00  0.145392D+01  0.643381D+01 -0.344810D+01  0.150207D+01
      2   0.238408D+01  0.181669D+01 -0.344810D+01  0.300946D+01 -0.916261D+00
      3   0.181669D+01  0.534147D+01  0.150207D+01 -0.916261D+00  0.129473D+01
               121           122           123           124           125 
      1  -0.530487D+01  0.428901D+01 -0.157412D+01  0.222101D+01 -0.158633D+01
      2   0.428901D+01 -0.506308D+01  0.213377D+01 -0.158633D+01  0.242880D+01
      3  -0.157412D+01  0.213377D+01 -0.179399D+01  0.127662D+01 -0.920137D+00
               126 
      1   0.127662D+01
      2  -0.920137D+00
      3   0.513745D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.982431D+00 -0.133752D+01  0.664969D+00  0.267038D+00  0.575060D+01
      2   0.586750D+01 -0.187868D+01 -0.411365D+01  0.162184D+01 -0.105271D+01
      3   0.578760D+01  0.467744D+01  0.169567D+01  0.128072D+02 -0.330081D+01
                 6             7             8             9            10 
      1  -0.311400D+01  0.544975D+01  0.405060D+01 -0.509493D+01  0.293275D+00
      2  -0.215072D+01 -0.843214D+01 -0.311867D+00 -0.189227D+01 -0.124090D+02
      3  -0.301504D+01 -0.227653D+01 -0.358658D+01 -0.402098D+01 -0.204037D+02
                11            12            13            14            15 
      1   0.172025D+01  0.271321D+00  0.151035D+01  0.100535D+01 -0.566115D+01
      2   0.260003D+01  0.820046D+01  0.105065D+01 -0.796766D+01  0.716877D+01
      3  -0.196096D+01 -0.143131D+01  0.192625D+02 -0.209078D+02  0.737522D+01
                16            17            18            19            20 
      1  -0.410782D+00  0.100367D+02 -0.174399D+01 -0.197034D+01  0.825243D+00
      2  -0.105495D+02  0.336827D+01 -0.157331D+01  0.736936D+00 -0.103773D+01
      3  -0.249247D+00  0.957298D+01 -0.331445D+01  0.173799D+01 -0.537438D+01
                21            22            23            24            25 
      1  -0.685092D+00  0.411511D+00  0.683710D+00 -0.474588D+00 -0.225189D+01
      2   0.278810D+01  0.187805D+01 -0.107555D+01  0.385167D+01 -0.326467D+01
      3   0.642385D+00 -0.348841D+01 -0.230986D+01  0.678058D-01 -0.430282D+00
                26            27            28            29            30 
      1   0.446826D+01 -0.419153D+00 -0.161973D+01 -0.150595D+01  0.601069D+01
      2  -0.241761D+00 -0.404158D+01 -0.449549D-01  0.133383D+01  0.582873D+01
      3   0.269282D+01  0.582540D+00 -0.222929D+01 -0.155849D+02  0.129646D+01
                31            32            33            34            35 
      1  -0.286767D+01 -0.457891D+01 -0.205306D+01  0.594940D+01  0.756941D+01
      2   0.200725D+00  0.240071D+00 -0.159627D+01 -0.197206D+01 -0.954382D-01
      3  -0.245660D+00 -0.170249D+00  0.190927D+01  0.288994D+01  0.224887D+01
                36            37            38            39            40 
      1   0.571482D+01  0.119958D+01  0.815987D+00  0.164353D+00  0.174771D+01
      2   0.255831D+01 -0.331326D+01 -0.131372D+00 -0.630482D+01  0.255488D+00
      3  -0.715732D+01 -0.860996D+01  0.199832D+01 -0.118994D+00  0.896090D-01
                41            42            43            44            45 
      1  -0.674564D+00  0.952302D+01 -0.194649D+00  0.951779D+01  0.885793D+00
      2   0.158481D+01 -0.245465D+01 -0.200354D+02 -0.152739D+01  0.361502D+01
      3   0.138554D+02 -0.117498D+01  0.780361D+00 -0.210267D+01  0.936806D+00
                46            47            48            49            50 
      1  -0.339536D-02  0.524683D-01 -0.291325D+01  0.929936D-01  0.133915D+01
      2   0.134505D+00  0.614605D+00  0.581348D+01 -0.246006D+01 -0.675355D+00
      3  -0.144230D+01 -0.736912D+01 -0.519370D+00  0.110029D+02 -0.237296D+02
                51            52            53            54            55 
      1  -0.112172D+02 -0.531909D+00  0.844598D+00 -0.149496D+00 -0.106176D+01
      2   0.561987D+01  0.351955D+01  0.587794D+01 -0.227993D+00 -0.147672D+00
      3   0.170250D+00 -0.122331D+01  0.126533D+00 -0.589373D+01 -0.485002D+01
                56            57            58            59            60 
      1  -0.970703D+00  0.286743D+01 -0.466379D+00 -0.861246D+00 -0.378674D+01
      2   0.951258D+00  0.961625D+01  0.193382D+01 -0.318659D-01 -0.141533D+01
      3  -0.180065D+02 -0.547775D+00 -0.143501D+02 -0.117939D+02  0.480594D-02
                61            62            63            64            65 
      1   0.709188D+00  0.220012D+01 -0.529750D+00  0.340521D+00 -0.819413D+00
      2   0.696456D+01 -0.157109D+01 -0.300890D+01  0.270240D+01 -0.517379D+00
      3   0.226294D+00  0.162332D+01  0.245845D+01  0.174970D+00 -0.163032D+00
                66            67            68            69            70 
      1   0.403197D-01 -0.284462D+00 -0.608719D+00 -0.285581D+00  0.444894D+00
      2   0.188312D+00 -0.612218D+00  0.801192D+00 -0.403308D+00 -0.369919D+01
      3  -0.318181D+00  0.202075D+01 -0.622670D-01 -0.134018D+00  0.336627D+00
                71            72            73            74            75 
      1   0.269327D+01  0.109225D+01  0.112127D+01 -0.105698D+01 -0.128861D+01
      2   0.104712D+00  0.247425D+01  0.176373D+01  0.715124D+00  0.278823D+01
      3  -0.598863D+00  0.440902D+00  0.144347D+01 -0.193651D+01 -0.153702D+01
                76            77            78            79            80 
      1  -0.813294D+00 -0.266442D-01 -0.860592D-01 -0.251448D+01  0.140969D+01
      2  -0.692201D-02  0.117283D+01  0.597941D+00 -0.402612D+01 -0.615060D+00
      3  -0.308238D+00  0.207323D+00 -0.417566D+00 -0.402450D+01 -0.310221D+00
                81            82            83            84            85 
      1   0.657246D+01 -0.114900D+01 -0.386970D+00 -0.906877D+00 -0.827466D+00
      2   0.364144D+01  0.222496D+00  0.940027D+00  0.203674D+01  0.113872D+01
      3   0.385469D+01  0.258104D+01 -0.413631D+00 -0.286431D+00  0.553561D+01
                86            87            88            89            90 
      1  -0.377913D+01 -0.288385D+01 -0.885752D+00 -0.126275D+01 -0.190237D-01
      2   0.162318D+01 -0.216883D+00 -0.767191D+00 -0.310896D+00 -0.749912D+00
      3   0.654371D+01  0.964043D+00  0.249371D+01  0.190520D+01  0.149636D+01
                91            92            93            94            95 
      1   0.782981D+00  0.748344D+00  0.896485D+00  0.598484D+00  0.108344D+01
      2  -0.801715D+00 -0.929452D+00 -0.152655D+01 -0.718123D+00 -0.122407D+01
      3   0.896692D+01  0.110356D+02  0.149347D+00  0.145184D+02  0.197867D+02
                96            97            98            99           100 
      1  -0.121582D+01  0.108893D+01  0.105301D+01  0.114271D+00  0.218281D+01
      2  -0.257452D+01 -0.177945D+01 -0.206691D+01 -0.124326D+00  0.166275D+01
      3   0.818282D+00 -0.327949D+00 -0.364128D+00  0.126954D+00  0.699031D+01
               101           102           103           104           105 
      1   0.217557D+01 -0.359490D+01  0.234888D+01  0.260787D+01 -0.331035D+01
      2  -0.184436D+00 -0.145623D+00  0.394732D+00  0.674003D+00  0.666785D+00
      3   0.414717D+01 -0.234378D+01  0.844778D+01  0.475557D+01 -0.293290D+01
               106           107           108           109           110 
      1  -0.335415D+01 -0.244313D+01  0.371559D+01 -0.137023D+01 -0.651848D+00
      2  -0.234470D+01  0.204019D+00 -0.360812D+00 -0.199258D+01  0.365867D+00
      3  -0.701575D+01 -0.392057D+01  0.357595D+01  0.214917D+01  0.914360D+00
               111           112           113           114           115 
      1  -0.332456D+01 -0.531360D+00 -0.171481D+01 -0.224086D+01 -0.415761D+01
      2  -0.485818D+00 -0.583156D-01 -0.430803D+00  0.400106D+00 -0.338232D+01
      3   0.108466D+01  0.236350D+01  0.458964D+00  0.115884D+01  0.503150D+01
               116           117           118           119           120 
      1  -0.194865D+01 -0.112054D+02  0.271587D+00  0.391528D+00  0.179772D+01
      2  -0.349453D+00 -0.221179D+01  0.507718D+01 -0.269984D+01  0.613398D+01
      3   0.139394D+01  0.494713D+01  0.800679D+01 -0.111686D+02  0.209257D+01
               121           122           123           124           125 
      1  -0.644661D+00 -0.367948D+00 -0.401159D+01  0.356035D+00  0.101575D+01
      2  -0.461839D+01  0.636192D+01 -0.749346D+01  0.228662D+01 -0.215970D+01
      3  -0.101738D+02  0.163615D+02 -0.533638D+01  0.378914D+01 -0.868063D+01
               126 
      1   0.120835D+01
      2   0.244425D+01
      3   0.196670D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.465130D+02 -0.520011D+01  0.120351D+01 -0.992349D+01  0.935924D+01
      2   0.261042D+02  0.347005D+01 -0.268815D+01  0.563751D+01 -0.123554D+02
      3   0.204088D+02  0.173006D+01  0.148464D+01  0.428598D+01  0.299621D+01
      4  -0.547234D+01 -0.807345D+01 -0.313417D+01  0.772993D+01  0.123760D+01
      5   0.744543D+01 -0.275220D+01 -0.131798D+02  0.502033D+01  0.823801D+00
      6  -0.313800D+01  0.220799D+01 -0.170079D+01  0.153539D+01 -0.434097D+01
                 6             7             8             9            10 
      1   0.654150D+01  0.490152D+01  0.599574D+01  0.174968D+02  0.680456D+02
      2  -0.600901D+01 -0.703710D+01 -0.551023D+01 -0.286309D+01 -0.404438D+02
      3  -0.532483D+00  0.213558D+01 -0.485509D+00 -0.146338D+02 -0.276019D+02
      4   0.534732D+00  0.408921D+01  0.584643D+01  0.174455D+01  0.299739D+02
      5  -0.563610D+01  0.967140D+01  0.248881D+01 -0.404602D+01 -0.182755D+02
      6   0.314293D+01 -0.342786D+01  0.212139D+01  0.595380D+01  0.410125D+01
                11            12            13            14            15 
      1   0.274258D+02 -0.157277D+02  0.381689D+02 -0.105590D+02  0.114005D+01
      2  -0.141601D+02  0.591894D+01 -0.198618D+02  0.125185D+02  0.259639D+01
      3  -0.132658D+02  0.980878D+01 -0.183071D+02 -0.195955D+01 -0.373645D+01
      4   0.709738D+01  0.836257D+01  0.108609D+02  0.303754D+02 -0.161478D+02
      5   0.753984D+01  0.231473D+02  0.724223D+01 -0.156007D+02  0.116427D+02
      6  -0.192962D+01  0.484367D+00 -0.430889D+01  0.796924D+01  0.154859D+02
                16            17            18            19            20 
      1  -0.191005D+02 -0.248557D+00 -0.203322D+01 -0.616209D+00 -0.169889D+01
      2   0.820861D+01 -0.748269D+00 -0.181195D+02  0.357376D+01  0.481311D+00
      3   0.108919D+02  0.996826D+00  0.201527D+02 -0.295755D+01  0.121758D+01
      4   0.848256D+01 -0.177821D+02  0.513017D+01 -0.487319D+01  0.627223D+01
      5   0.301293D+02  0.609747D+01 -0.389832D+01  0.833199D+00  0.746389D+00
      6   0.875390D+00  0.118555D+02  0.679323D+01  0.738231D+00 -0.211458D+01
                21            22            23            24            25 
      1  -0.118263D+01  0.667333D+01  0.571639D+01  0.111545D+01 -0.662093D+01
      2  -0.653858D+00 -0.289777D+01 -0.917727D+01 -0.615969D+00  0.329854D+01
      3   0.183649D+01 -0.377555D+01  0.346088D+01 -0.499482D+00  0.332239D+01
      4   0.513099D+00 -0.855008D+01  0.834640D+01  0.107412D+01 -0.131765D+01
      5   0.197112D+01  0.747128D+00  0.157242D+01  0.500652D+01 -0.155935D+01
      6  -0.162566D-02 -0.167472D+01 -0.205366D+00 -0.356896D+01  0.542751D-01
                26            27            28            29            30 
      1   0.949106D+00  0.675767D+01  0.197029D+02  0.558066D+01  0.113445D+01
      2  -0.405706D+01  0.926735D+01 -0.157360D+02 -0.872352D+01  0.286671D+01
      3   0.310795D+01 -0.160250D+02 -0.396692D+01  0.314286D+01 -0.400116D+01
      4  -0.138342D+01 -0.631671D-01 -0.370054D+01 -0.341171D+01  0.150258D+01
      5  -0.923201D+00 -0.212789D+01  0.593387D+00  0.792045D+00  0.437098D+01
      6   0.102780D+01  0.157435D+01  0.327613D+01  0.334841D+01 -0.105586D+02
                31            32            33            34            35 
      1   0.260081D+01 -0.145664D+02 -0.305416D+01 -0.195532D+01 -0.227351D+01
      2  -0.849732D+01  0.237947D+02  0.567575D+01  0.414286D+01  0.696256D+01
      3   0.589650D+01 -0.922831D+01 -0.262160D+01 -0.218754D+01 -0.468905D+01
      4   0.245657D+01 -0.127620D+02  0.478775D+00  0.251004D+01  0.170858D+01
      5   0.476567D+00 -0.352022D+00 -0.334584D+01  0.363225D+01 -0.298209D+01
      6   0.290014D+01  0.682914D+01  0.974339D+00 -0.111793D+02 -0.313856D+01
                36            37            38            39            40 
      1   0.455127D+01 -0.610415D+01  0.144445D+02  0.553263D+00 -0.176530D+01
      2  -0.322756D+01  0.160274D+01 -0.133556D+02 -0.291800D+01 -0.386503D+01
      3  -0.132371D+01  0.450141D+01 -0.108887D+01  0.236473D+01  0.563033D+01
      4  -0.838751D+01  0.861297D+01 -0.153040D+02 -0.183492D+01 -0.268562D+02
      5  -0.668476D-01 -0.517502D+00 -0.244858D+01 -0.910145D+01 -0.448327D+01
      6  -0.890878D+01 -0.566938D+00 -0.687020D+00  0.161870D+01 -0.988076D+00
                41            42            43            44            45 
      1   0.369803D+01  0.608189D+00  0.551471D+01 -0.325571D+01 -0.521890D+01
      2  -0.158928D+02  0.119516D+01 -0.449359D+01  0.134302D+01 -0.611061D+01
      3   0.121948D+02 -0.180335D+01 -0.102112D+01  0.191269D+01  0.113295D+02
      4  -0.303054D+02 -0.781206D+00 -0.291090D+01  0.187468D+01 -0.209801D+01
      5  -0.160336D+01 -0.326219D+01  0.275449D+01 -0.174249D+01  0.403499D+01
      6  -0.249966D+01 -0.139613D+02 -0.305061D+00  0.383555D+01 -0.878319D+00
                46            47            48            49            50 
      1   0.124970D+02  0.679418D+01  0.199651D-01  0.108426D+02 -0.210990D+02
      2  -0.203252D+01  0.267521D+01  0.328457D+00  0.295176D+01  0.422910D+02
      3  -0.104645D+02 -0.946939D+01 -0.348422D+00 -0.137943D+02 -0.211921D+02
      4   0.210634D+02  0.251667D+02  0.176220D+01  0.305906D+02  0.580608D+02
      5   0.174788D+01  0.206334D+01  0.920788D+01  0.239947D+01  0.278734D+01
      6   0.964354D+00  0.977223D+00  0.387855D+01  0.167903D+01  0.266889D+01
                51            52            53            54            55 
      1  -0.168545D+01 -0.620940D+00 -0.569940D+00 -0.309576D+01  0.568383D+02
      2   0.324818D+00  0.879763D+00 -0.236164D+00  0.268201D+01 -0.341046D+02
      3   0.136063D+01 -0.258822D+00  0.806103D+00  0.413742D+00 -0.227337D+02
      4   0.201991D+01  0.901870D+00  0.424296D+00  0.137600D+02 -0.227702D+02
      5   0.114494D+02  0.104385D+02  0.139447D+02  0.135324D+01 -0.310578D+01
      6   0.174311D+02  0.470495D+01  0.139794D+02  0.135089D+01  0.622622D+00
                56            57            58            59            60 
      1  -0.105280D+02 -0.133450D+01  0.714474D+01  0.143184D+02 -0.676880D+00
      2   0.388580D+01  0.228217D+01 -0.758801D+01 -0.642450D+01 -0.196187D+00
      3   0.664221D+01 -0.947665D+00  0.443267D+00 -0.789387D+01  0.873068D+00
      4   0.212784D+02  0.194175D+01  0.217631D+02 -0.255339D+01 -0.127641D+01
      5   0.150947D+01  0.179360D+02 -0.106738D+00 -0.141568D+01 -0.425716D+01
      6  -0.108723D+00 -0.480169D+01 -0.794738D+00  0.631472D+00  0.762576D+01
                61            62            63            64            65 
      1  -0.250391D+01  0.147787D+01  0.708357D+01  0.176803D+01  0.697289D-01
      2   0.250186D+01 -0.545767D+00 -0.892469D+01 -0.398640D+01 -0.112988D+00
      3   0.204620D-02 -0.932099D+00  0.184112D+01  0.221837D+01  0.432592D-01
      4   0.196773D+01 -0.166350D+01 -0.607765D+01 -0.362810D+00  0.471152D+00
      5   0.164920D+02 -0.663032D+01 -0.577980D+01 -0.315344D-01 -0.316868D+00
      6  -0.219774D+01  0.499804D+01  0.109909D+01 -0.316311D+00  0.423458D+00
                66            67            68            69            70 
      1   0.130060D+01  0.543903D+00 -0.479766D+01 -0.263861D+00  0.961338D+00
      2   0.569460D+00  0.355109D+00  0.101648D+01 -0.837745D+00  0.112539D+01
      3  -0.187006D+01 -0.899012D+00  0.378118D+01  0.110161D+01 -0.208673D+01
      4  -0.521290D+00  0.223209D+01 -0.908441D+00  0.329066D+00  0.133156D+01
      5   0.412381D+01  0.249705D+00  0.105928D+00 -0.497148D+00  0.372237D+01
      6   0.353656D+00  0.314309D+00  0.541404D+00  0.663041D+01  0.117953D+00
                71            72            73            74            75 
      1   0.177548D+01 -0.188964D+02  0.234235D+01 -0.612053D+00  0.361904D+01
      2  -0.987701D+00 -0.130051D+02 -0.449403D+01  0.824726D-01  0.104416D+01
      3  -0.787780D+00  0.319015D+02  0.215168D+01  0.529580D+00 -0.466320D+01
      4   0.895668D+00 -0.348885D+00  0.604114D-01  0.270845D+01 -0.714607D+00
      5   0.135528D+00  0.140686D+01 -0.250812D+01  0.141012D+00  0.809899D+01
      6   0.372406D+01 -0.276860D+01 -0.521397D+00 -0.101564D+01  0.148730D+01
                76            77            78            79            80 
      1   0.258770D+01 -0.515002D+01  0.197841D+01  0.130062D+02  0.583662D+01
      2  -0.780384D+00  0.252812D+01 -0.139956D+01 -0.202633D+01 -0.103637D+01
      3  -0.180732D+01  0.262190D+01 -0.578847D+00 -0.109799D+02 -0.480025D+01
      4   0.220480D+00  0.139595D+00  0.773379D+00 -0.207524D+01  0.116191D+00
      5  -0.578241D+00  0.825792D+00  0.823720D+00  0.121595D+01 -0.247809D+01
      6  -0.105050D+01 -0.236714D+01  0.502005D+01  0.304334D+01  0.560707D+01
                81            82            83            84            85 
      1  -0.267197D+02  0.281878D+01 -0.102746D+01  0.217433D+00 -0.867377D+01
      2  -0.608316D+01  0.920249D+00  0.158086D+01  0.756606D+00  0.790366D+01
      3   0.328029D+02 -0.373903D+01 -0.553401D+00 -0.974040D+00  0.770116D+00
      4  -0.850531D+00  0.188916D+01  0.560681D+01  0.141859D+01  0.207611D+01
      5   0.432111D+01  0.785482D+00  0.879291D+00  0.263337D+01 -0.554188D+00
      6  -0.123916D+02  0.143452D+01  0.102089D+00  0.974904D-01 -0.500241D-01
                86            87            88            89            90 
      1  -0.208013D+02 -0.607603D+00 -0.419222D+01 -0.427170D+01 -0.507908D+01
      2   0.297996D+02  0.242707D+01  0.371509D+01  0.536317D+01  0.323103D+01
      3  -0.899837D+01 -0.181946D+01  0.477135D+00 -0.109147D+01  0.184805D+01
      4  -0.743772D+01  0.373296D+00  0.210007D+00 -0.231344D+01 -0.993295D+00
      5   0.879326D-01 -0.489475D+00  0.348853D+00 -0.120032D+01 -0.901406D+00
      6   0.492858D+00  0.353518D+01  0.106485D+01  0.522383D+01  0.942155D+00
                91            92            93            94            95 
      1  -0.149604D+02 -0.422846D+01  0.130084D+00 -0.187632D+02 -0.696659D+01
      2   0.122243D+02  0.665289D+00 -0.151222D+00  0.986295D+01  0.108786D+02
      3   0.273613D+01  0.356317D+01  0.211376D-01  0.890023D+01 -0.391200D+01
      4  -0.402932D+01 -0.225638D+00 -0.405887D+00  0.808317D+01 -0.210714D+02
      5   0.935915D+00  0.151652D+00 -0.189211D+01  0.159459D+01 -0.462466D+00
      6  -0.168971D+00 -0.269555D+00 -0.179923D+01 -0.346167D+00  0.766824D+00
                96            97            98            99           100 
      1   0.220774D+00  0.806467D+00 -0.181187D+00 -0.604692D+00 -0.306664D+01
      2  -0.118448D+00 -0.428268D+00  0.512559D-01 -0.772678D-02  0.643237D+01
      3  -0.102326D+00 -0.378199D+00  0.129931D+00  0.612419D+00 -0.336572D+01
      4  -0.107357D+01  0.238711D-01 -0.375308D+00 -0.319066D+01  0.632942D+01
      5  -0.461071D+01  0.368067D+01 -0.295717D+01 -0.428278D+00 -0.205691D+01
      6   0.188429D+01 -0.184808D+01  0.289602D+01  0.249056D+00 -0.515717D+01
               101           102           103           104           105 
      1  -0.801003D+01  0.197905D+01 -0.559912D+01 -0.120971D+02  0.381376D+01
      2   0.123272D+02 -0.386119D+01  0.897398D+01  0.187275D+02 -0.620521D+01
      3  -0.431722D+01  0.188214D+01 -0.337486D+01 -0.663049D+01  0.239145D+01
      4   0.894572D+01 -0.347183D+01  0.904359D+01  0.790143D+01 -0.332878D+01
      5  -0.196580D+01  0.208982D+01 -0.395670D+00 -0.177124D+01  0.151743D+01
      6  -0.614558D+01  0.628801D+01 -0.518164D+01 -0.837345D+01  0.691322D+01
               106           107           108           109           110 
      1   0.319674D+01  0.780722D+01 -0.689860D+01 -0.169190D+01 -0.359178D+01
      2  -0.445042D+01 -0.925409D+01  0.502137D+01  0.116173D+01  0.382307D+01
      3   0.125367D+01  0.144687D+01  0.187723D+01  0.530169D+00 -0.231294D+00
      4  -0.521781D+01 -0.442802D+01  0.462921D+01  0.839583D+00  0.376558D+01
      5   0.211466D+01  0.209508D+01 -0.223535D+01  0.132147D+01  0.115140D+01
      6   0.622265D+01  0.105556D+02 -0.860616D+01  0.242242D+01  0.345165D+01
               111           112           113           114           115 
      1  -0.269375D+01 -0.687181D+00 -0.432676D+01 -0.239198D+01 -0.170104D+01
      2   0.125159D+01  0.102089D+01  0.496078D+01  0.290443D+01 -0.266941D+00
      3   0.144216D+01 -0.333711D+00 -0.634016D+00 -0.512451D+00  0.196798D+01
      4   0.231419D+01  0.387950D+01  0.235165D+01  0.205597D+01  0.455500D+01
      5   0.213574D+01  0.261124D+00  0.124062D+01  0.159434D+01  0.225959D+01
      6   0.612254D+01  0.257935D+01  0.365251D+01  0.626664D+01  0.628677D+01
               116           117           118           119           120 
      1  -0.694537D+01 -0.105687D+02  0.355581D+02 -0.202301D+02  0.933523D+01
      2   0.511400D+01 -0.773744D+00 -0.145315D+02  0.776688D+01 -0.402268D+01
      3   0.183137D+01  0.113424D+02 -0.210267D+02  0.124632D+02 -0.531254D+01
      4   0.221546D+01  0.421495D+01 -0.281694D+02  0.241128D+02 -0.744898D+01
      5   0.119257D+01  0.201913D+01  0.117481D+02 -0.720769D+01  0.100956D+02
      6   0.905966D+01  0.198720D+02 -0.369073D+01  0.175989D+01 -0.146871D+01
               121           122           123           124           125 
      1  -0.227439D+02  0.149980D+02 -0.692706D+01  0.903083D+01 -0.628492D+01
      2   0.597245D+01  0.188183D+01  0.636228D+00 -0.444648D+01  0.335277D+01
      3   0.167714D+02 -0.168799D+02  0.629083D+01 -0.458435D+01  0.293215D+01
      4   0.314343D+02 -0.339835D+02  0.138840D+02 -0.125503D+02  0.148645D+02
      5  -0.118730D+02  0.137616D+02 -0.993547D+01  0.100635D+02 -0.764946D+01
      6   0.430205D+01 -0.548246D+01  0.425775D+01 -0.402114D+01  0.666505D+01
               126 
      1   0.213419D+01
      2  -0.217807D+01
      3   0.438743D-01
      4  -0.746911D+01
      5   0.526409D+01
      6  -0.399776D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.157796D+01      0.401079D+01      0.133785D+02
   x          0.121608D+01      0.309096D+01      0.103103D+02
   y          0.986679D+00      0.250789D+01      0.836541D+01
   z          0.193887D+00      0.492811D+00      0.164384D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.684752D+02      0.101470D+02      0.112900D+02
   aniso      0.287376D+02      0.425847D+01      0.473819D+01
   xx         0.845435D+02      0.125281D+02      0.139393D+02
   yx        -0.518949D+00     -0.769003D-01     -0.855631D-01
   yy         0.692906D+02      0.102678D+02      0.114245D+02
   zx        -0.126238D+01     -0.187066D+00     -0.208139D+00
   zy        -0.120961D+01     -0.179246D+00     -0.199438D+00
   zz         0.515915D+02      0.764508D+01      0.850630D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.783373D+02      0.116084D+02      0.129161D+02
   aniso      0.289466D+02      0.428944D+01      0.477265D+01
   xx         0.949641D+02      0.140722D+02      0.156575D+02
   yx        -0.608975D+00     -0.902407D-01     -0.100406D+00
   yy         0.784104D+02      0.116192D+02      0.129281D+02
   zx        -0.108448D+01     -0.160704D+00     -0.178807D+00
   zy         0.283290D+00      0.419793D-01      0.467083D-01
   zz         0.616372D+02      0.913369D+01      0.101626D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.76920452         -1.90050480          0.49443226
    16          2.39580603         -1.98489434          3.54836589
     6          0.09923340          0.82896459         -0.14103753
     7         -1.57820825          2.09254007          1.66769955
     6         -1.04814862          0.96213429         -2.81937549
     8         -0.27293981         -0.27239688         -4.55741885
     8         -2.93722072          2.62165445         -3.02878550
     1          1.84637537          1.92807387         -0.24672714
     1         -0.94548680         -3.04325689          0.58322092
     1          1.98370407         -2.65509502         -0.97805927
     1         -3.18764397          3.29841363         -1.31358159
     1         -0.60348206          3.01704625          3.02583198
     1         -2.73663425          0.84066197          2.54056092
     1          3.11726669         -4.41293816          3.42651036

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.157796D+01      0.401079D+01      0.133785D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.157796D+01      0.401079D+01      0.133785D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.684752D+02      0.101470D+02      0.112900D+02
   aniso      0.287376D+02      0.425847D+01      0.473819D+01
   xx         0.624898D+02      0.926003D+01      0.103032D+02
   yx        -0.116300D+02     -0.172339D+01     -0.191753D+01
   yy         0.657786D+02      0.974738D+01      0.108454D+02
   zx         0.855548D+01      0.126779D+01      0.141061D+01
   zy        -0.275531D+01     -0.408294D+00     -0.454289D+00
   zz         0.771573D+02      0.114335D+02      0.127215D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.783373D+02      0.116084D+02      0.129161D+02
   aniso      0.289466D+02      0.428944D+01      0.477265D+01
   xx         0.733429D+02      0.108683D+02      0.120926D+02
   yx        -0.118339D+02     -0.175361D+01     -0.195115D+01
   yy         0.744289D+02      0.110292D+02      0.122717D+02
   zx         0.804979D+01      0.119286D+01      0.132723D+01
   zy        -0.383694D+01     -0.568576D+00     -0.632626D+00
   zz         0.872400D+02      0.129276D+02      0.143839D+02

 ----------------------------------------------------------------------
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 DEMOCRATS BUY MOST OF THE BOOKS THAT HAVE BEEN
 BANNED; REPUBLICANS FORM CENSORSHIP COMMITTEES AND
 READ THEM AS A GROUP.
 Job cpu time:       0 days  0 hours 54 minutes  5.1 seconds.
 Elapsed time:       0 days  0 hours  6 minutes 47.9 seconds.
 File lengths (MBytes):  RWF=    218 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 19:42:05 2021.
